SCHEMBL3773271

SCHEMBL3773271

CCCc1nc(C(F)(F)F)ccc1C=CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ESR1 P03372 2/20 0.39
TRPV1 Q8NER1 2/20 0.37
PPARG P37231 2/20 0.37
MCHR1 Q99705 6/20 0.36
MITF O75030 1/20 0.36
HPGD P15428 1/20 0.36
KLF5 Q13887 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MIF P14174 1/20 0.36
PPARD Q03181 2/20 0.35
PPARA Q07869 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
ACVR1 Q04771 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL3773270 1.00 KDM4E (0.40) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL3785173 0.92 KDM4E (0.39) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL3785172 0.92 KDM4E (0.39) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL3778109 0.91 KDM4E (0.40) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL3778110 0.91 KDM4E (0.40) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL3772762 0.89 KDM4E (0.40) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL3772760 0.89 KDM4E (0.40) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL31031262 0.88 TRPV1 (0.36) KDM4EALDH1A1TRPV1MCHR1HPGD
SCHEMBL3770778 0.84 RAB9A (0.40) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL3770780 0.84 RAB9A (0.40) KDM4EALDH1A1GAAMEN1KMT2A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106660949-B Chiral resolution method of N- [4- (1-aminoethyl) -phenyl ] -sulfamide derivative 株式会社爱茉莉太平洋 2020-11-13 CN claimed
US-10479763-B2 Chiral resolution method of N-[4-(1-aminoethyl)-phenyl]-sulfonamide derivatives AMOREPACIFIC CORPORATION (KR) 2019-11-19 US claimed
EP-3162793-B1 CHIRAL RESOLUTION METHOD OF N-[4-(1-AMINOETHYL)-PHENYL]-SULFONAMIDE DERIVATIVES AMOREPACIFIC CORP (KR) 2019-04-10 EP claimed
US-20170342027-A1 CHIRAL RESOLUTION METHOD OF N-[4-(1-AMINOETHYL)-PHENYL]-SULFONAMIDE DERIVATIVES AMOREPACIFIC CORPORATION (KR) 2017-11-30 US claimed
EP-3162793-A1 CHIRAL RESOLUTION METHOD OF N-[4-(1-AMINOETHYL)-PHENYL]-SULFONAMIDE DERIVATIVES Amorepacific Corporation (KR) 2017-05-03 EP claimed
CN-106660949-B Chiral resolution method of N- [4- (1-aminoethyl) -phenyl ] -sulfamide derivative 株式会社爱茉莉太平洋 2020-11-13 CN disclosed
US-10479763-B2 Chiral resolution method of N-[4-(1-aminoethyl)-phenyl]-sulfonamide derivatives AMOREPACIFIC CORPORATION (KR) 2019-11-19 US disclosed
EP-3162793-B1 CHIRAL RESOLUTION METHOD OF N-[4-(1-AMINOETHYL)-PHENYL]-SULFONAMIDE DERIVATIVES AMOREPACIFIC CORP (KR) 2019-04-10 EP disclosed
US-20170342027-A1 CHIRAL RESOLUTION METHOD OF N-[4-(1-AMINOETHYL)-PHENYL]-SULFONAMIDE DERIVATIVES AMOREPACIFIC CORPORATION (KR) 2017-11-30 US disclosed
EP-3162793-A1 CHIRAL RESOLUTION METHOD OF N-[4-(1-AMINOETHYL)-PHENYL]-SULFONAMIDE DERIVATIVES Amorepacific Corporation (KR) 2017-05-03 EP disclosed
EP-2054411-B1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2014-08-20 EP disclosed
US-7858621-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2010-12-28 US disclosed
EP-2054411-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2009-05-06 EP disclosed
US-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-12-18 US disclosed
WO-2008013414-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-01-31 WO disclosed

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

For each of this compound's patents that has machine-readable text (3 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-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 KDM4E 4638/4885ALDH1A1 797/4885GAA 3479/4885
US-10479763-B2 Chiral resolution method of N-[4-(1-aminoethyl)-phenyl]-sulfonamide derivatives DHCR24, SRR, ACMSD KDM4E 2310/4885ALDH1A1 1008/4885GAA 2100/4885
US-20170342027-A1 CHIRAL RESOLUTION METHOD OF N-[4-(1-AMINOETHYL)-PHENYL]-SULFONAMIDE DERIVATIVES DHCR24, SRR, ACMSD KDM4E 2310/4885ALDH1A1 1008/4885GAA 2100/4885

“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.