SCHEMBL1489599

SCHEMBL1489599

Cc1ccc(C(=O)OC(=O)[C@H](O)[C@@H](O)C(=O)OC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
ALDH1A1 P00352 9/20 0.46
LMNA P02545 2/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
PKM P14618 2/20 0.42
HTT P42858 2/20 0.42
ATM Q13315 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL424471 1.00 TDP1 (0.55) TDP1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL29673261 1.00 TDP1 (0.55) TDP1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL697038 1.00 TDP1 (0.55) TDP1ADRB2ADRB1ADRB3ALDH1A1
Water SCHEMBL8461991 0.98 TDP1 (0.53) TDP1ADRB2ADRB1ADRB3ALDH1A1
Water SCHEMBL9529895 0.98 TDP1 (0.53) TDP1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL29733565 0.93 TDP1 (0.48) TDP1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL516874 0.93 TDP1 (0.48) TDP1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL923829 0.93 TDP1 (0.48) TDP1ADRB2ADRB1ADRB3ALDH1A1
Water SCHEMBL4813848 0.91 TDP1 (0.47) TDP1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL6654554 0.83 TDP1 (0.70) TDP1ALDH1A1LMNACES2CES1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 151 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208903-A1 ACID ADDITION SALTS OF (S)-3-(2,5-DIMETHOXY-4-(TRIFLUOROMETHYL)PHENYL)PIPERIDINE AND (S)-3-(2-METHOXY-5-(METHYLTHIO)-4-(TRIFLUOROMETHYL)PHENYL)PIPERIDINE, SPECIFIC POLYMORPHS THEREOF AND METHODS FOR THEIR MANUFACTURE Lophora ApS (DK) 2024-06-27 US claimed
WO-2024130425-A1 METHODS OF MAKING 2-AMINO-L-(3-HYDROXY-2,6-DIMETHYLPHENYL)-5,6- DIMETHYL-LH-PYRROLO-[2,3-B]PYRIDINE-3-CARBOXAMIDE, A MYTL INHIBITOR REPARE THERAPEUTICS INC. (CA) 2024-06-27 WO claimed
US-11999741-B2 Process for the synthesis of 6-((3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl)-3-(tetrahydropyran-4-yl-7H-imidazo[1,5-a]pyrazin-8-one CARDURION PHARMACEUTICALS, INC. (US) 2024-06-04 US claimed
US-20230122169-A1 NOVEL METHOD FOR PREPARING (-)-CIBENZOLINE SUCCINATE CELLTRION, INC. (KR) 2023-04-20 US claimed
EP-3858816-A1 NOVEL METHOD FOR PREPARING (-)-CIBENZOLINE SUCCINATE Celltrion, Inc. (KR) 2021-08-04 EP claimed
US-10759776-B2 Synthesis and resolution of nicotine NJOY, LLC (US) 2020-09-01 US claimed
WO-2020067683-A1 NOVEL PROCESS FOR THE PREPARATION OF (+)-CIBENZOLINE SUCCINATE CELLTRION INC. (KR) 2020-04-02 WO claimed
US-10479763-B2 Chiral resolution method of N-[4-(1-aminoethyl)-phenyl]-sulfonamide derivatives AMOREPACIFIC CORPORATION (KR) 2019-11-19 US claimed
US-20190263777-A1 SYNTHESIS AND RESOLUTION OF NICOTINE NJOY, LLC (US) 2019-08-29 US claimed
US-10377714-B2 Trans-isomeric heterocyclic compounds and preparation thereof TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2019-08-13 US claimed
US-20170342027-A1 CHIRAL RESOLUTION METHOD OF N-[4-(1-AMINOETHYL)-PHENYL]-SULFONAMIDE DERIVATIVES AMOREPACIFIC CORPORATION (KR) 2017-11-30 US claimed
US-9809567-B2 Synthesis and resolution of nicotine NJOY, LLC (US) 2017-11-07 US claimed
EP-3162793-A1 CHIRAL RESOLUTION METHOD OF N-[4-(1-AMINOETHYL)-PHENYL]-SULFONAMIDE DERIVATIVES Amorepacific Corporation (KR) 2017-05-03 EP claimed
US-20170066735-A1 Crystalline derivatives of (S)-1-((2R,3R,4S,5S)-5-allyl-3-methoxy-4-(tosylmethyl)tetrahydrofuran-2-YL)-3-aminopropan-2-ol ALPHORA RESEARCH INC. (CA) 2017-03-09 US claimed
US-20160326134-A1 SYNTHESIS AND RESOLUTION OF NICOTINE NJOY, INC. (US) 2016-11-10 US claimed
EP-2397461-A1 Method for the manufacture of escitalopram H. Lundbeck A/S (DK) 2011-12-21 EP claimed
US-8022232-B2 Method for manufacture of escitalopram H. LUNDBECK A/S (DK) 2011-09-20 US claimed
EP-2061753-B1 METHOD FOR MANUFACTURE OF ESCITALOPRAM LUNDBECK & CO AS H (DK) 2011-08-03 EP claimed
US-20090069582-A1 METHOD FOR MANUFACTURE OF ESCITALOPRAM H. LUNDBECK A/S (DK) 2009-03-12 US claimed
US-6462229-B1 IT HAS BEEN FOUND THAT (.+-.)-.ALPHA.-DIFLUOROMETHYLORNITHINE CAN BE CLEAVED USING THE COMMERCIALLY OBTAINABLE (-)-O,O'-DI-P-TOLUOYL-L-TARTARIC ACID LONZA LTD. (CH) 2002-10-08 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240208903-A1 ACID ADDITION SALTS OF (S)-3-(2,5-DIMETHOXY-4-(TRIFLUOROMETHYL)PHENYL)PIPERIDINE AND (S)-3-(2-METHOXY-5-(METHYLTHIO)-4-(TRIFLUOROMETHYL)PHENYL)PIPERIDINE, SPECIFIC POLYMORPHS THEREOF AND METHODS FOR THEIR MANUFACTURE CYP2D6, CYP3A5, CYP2B6 TDP1 3683/4885ADRB2 799/4885ADRB1 1199/4885
US-20170066735-A1 Crystalline derivatives of (S)-1-((2R,3R,4S,5S)-5-allyl-3-methoxy-4-(tosylmethyl)tetrahydrofuran-2-YL)-3-aminopropan-2-ol ERLIN1, ERLIN2, MAN1B1 TDP1 2019/4885ADRB2 2597/4885ADRB1 1576/4885
US-10479763-B2 Chiral resolution method of N-[4-(1-aminoethyl)-phenyl]-sulfonamide derivatives DHCR24, SRR, ACMSD TDP1 2080/4885ADRB2 1629/4885ADRB1 1561/4885
US-20090069582-A1 METHOD FOR MANUFACTURE OF ESCITALOPRAM HTR1A, HTR4, TPH1 TDP1 70/4885ADRB2 234/4885ADRB1 58/4885
US-20190263777-A1 SYNTHESIS AND RESOLUTION OF NICOTINE TMT1A, TST, NAPRT TDP1 176/4885ADRB2 3199/4885ADRB1 2694/4885
US-10377714-B2 Trans-isomeric heterocyclic compounds and preparation thereof C1S, FURIN, C5 TDP1 4170/4885ADRB2 456/4885ADRB1 312/4885
US-11999741-B2 Process for the synthesis of 6-((3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl)-3-(tetrahydropyran-4-yl-7H-imidazo[1,5-a]pyrazin-8-one CDK8, PRMT8, RPS8 TDP1 1304/4885ADRB2 3554/4885ADRB1 3665/4885
US-10759776-B2 Synthesis and resolution of nicotine TMT1A, TST, NAPRT TDP1 176/4885ADRB2 3199/4885ADRB1 2694/4885
US-20230122169-A1 NOVEL METHOD FOR PREPARING (-)-CIBENZOLINE SUCCINATE SDHA, SDHB, ALDH5A1 TDP1 4567/4885ADRB2 1861/4885ADRB1 1485/4885
US-20170342027-A1 CHIRAL RESOLUTION METHOD OF N-[4-(1-AMINOETHYL)-PHENYL]-SULFONAMIDE DERIVATIVES DHCR24, SRR, ACMSD TDP1 2080/4885ADRB2 1629/4885ADRB1 1561/4885
US-20160326134-A1 SYNTHESIS AND RESOLUTION OF NICOTINE TMT1A, TST, NAPRT TDP1 176/4885ADRB2 3199/4885ADRB1 2694/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.