SCHEMBL60234

SCHEMBL60234

CC(=O)N[CH]c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.48
GLA P06280 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NAPRT Q6XQN6 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RECQL P46063 2/20 0.46
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX5 P09917 1/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 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
SCHEMBL3826924 0.81 NPC1 (0.45) AKR1C3GLATDP1RECQLALDH1A1
SCHEMBL6670487 0.80 ALDH1A1 (0.48) HSD17B10ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL27730029 0.79 NPC1 (0.44) AKR1C3GLATDP1RECQLALDH1A1
SCHEMBL1506725 0.78 NPC1 (0.63) AKR1C3GLATDP1RECQLMTNR1A
SCHEMBL94681 0.78 ALDH1A1 (0.51) AKR1C3GLATDP1ALDH1A1TSHR
SCHEMBL6208267 0.78 ALDH1A1 (0.47) AKR1C3GLATDP1RECQLALDH1A1
SCHEMBL6025421 0.78 NPC1 (0.63) AKR1C3GLATDP1RECQLMTNR1A
SCHEMBL5892379 0.77 HTT (0.43) AKR1C3GLATDP1HSD17B10RECQL
SCHEMBL5754950 0.77 ALDH1A1 (0.39) AKR1C3GLATDP1RECQLMTNR1A
SCHEMBL2264042 0.77 KMT2A (0.48) TDP1RECQLMTNR1AMTNR1BALDH1A1

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 1515 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11939404-B2 Method for producing cyclized peptide having intramolecular S-S bond AJINOMOTO CO., INC. (JP) 2024-03-26 US claimed
CN-114716386-A Novel exosome inhibitor and preparation method thereof 北京和理咨询有限公司 2022-07-08 CN claimed
EP-3882255-A1 METHOD FOR PRODUCING CYCLIZED PEPTIDE HAVING INTRAMOLECULAR S-S BOND AJINOMOTO CO., INC. (JP) 2021-09-22 EP claimed
US-20210277063-A1 METHOD FOR PRODUCING CYCLIZED PEPTIDE HAVING INTRAMOLECULAR S-S BOND AJINOMOTO CO., INC. (JP) 2021-09-09 US claimed
CN-113039193-A Method for producing cyclized peptide having intramolecular S-S bond 味之素株式会社 2021-06-25 CN claimed
EP-3110828-B1 CONTINUOUS FLOW PEPTIDE SYNTHESIS UNIV SZEGEDI (HU) 2020-12-09 EP claimed
US-10577459-B2 Aliphatic poly(ester)s with thiol pendant groups WISTRAND, Anna (SE) 2020-03-03 US claimed
US-20180305495-A1 ALIPHATIC POLY(ESTER)S WITH THIOL PENDANT GROUPS PAPPALARDO, Daniela (IT) 2018-10-25 US claimed
EP-3362500-A1 ALIPHATIC POLY(ESTER)S WITH THIOL PENDANT GROUPS Novus Scientific AB (SE) 2018-08-22 EP claimed
EP-2800756-B1 PEPTIDE C ALPHA-AMIDES, METHODS FOR PREPARING SAME AND USES THEREOF AS PRECURSORS OF PEPTIDE C ALPHA-THIOESTERS FOR PROTEIN SYNTHESIS CENTRE NAT RECH SCIENT (FR) 2018-04-25 EP claimed
WO-1994022840-A1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO claimed
EP-0408371-B1 Hemoregulatory peptides SMITHKLINE BEECHAM CORP (US) 1994-09-28 EP claimed
WO-1994019329-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-09-01 WO claimed
WO-1993013789-A1 HEMOREGULATORY PEPTIDES SMITHKLINE BEECHAM CORPORATION (US) 1993-07-22 WO claimed
WO-1993010807-A1 HEMOREGULATORY PEPTIDES SMITHKLINE BEECHAM CORPORATION (US) 1993-06-10 WO claimed
CN-1054773-A HEMOREGULATORY PEPTIDES SMITHKLINE BEECHAM CORP (US) 1991-09-25 CN claimed
EP-0408371-A1 Hemoregulatory peptides SMITHKLINE BEECHAM CORPORATION (US) 1991-01-16 EP claimed
EP-0112135-B1 BROMINATION OF CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1988-01-13 EP claimed
US-4468514-A Preparation of 3-bromocephalosporins from thiazoline azetidinones ELI LILLY AND COMPANY (US) 1984-08-28 US claimed
EP-0112135-A2 Bromination of cephalosporins ELI LILLY AND COMPANY (US) 1984-06-27 EP 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 (4 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-11939404-B2 Method for producing cyclized peptide having intramolecular S-S bond SPPL2B, PTMS, VIP AKR1C3 3576/4885GLA 2680/4885TDP1 3529/4885
US-10577459-B2 Aliphatic poly(ester)s with thiol pendant groups PARG, TST, CBS AKR1C3 492/4885GLA 2716/4885TDP1 2088/4885
US-20210277063-A1 METHOD FOR PRODUCING CYCLIZED PEPTIDE HAVING INTRAMOLECULAR S-S BOND SPPL2B, PTMS, VIP AKR1C3 3576/4885GLA 2680/4885TDP1 3529/4885
US-20180305495-A1 ALIPHATIC POLY(ESTER)S WITH THIOL PENDANT GROUPS PARG, TST, CBS AKR1C3 492/4885GLA 2716/4885TDP1 2088/4885

“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.