SCHEMBL2269618

SCHEMBL2269618

O=Cc1ccc(CS(=O)(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 2/20 0.40
STS P08842 1/20 0.39
CYP2A6 P11509 4/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.38
ALDH3A1 P30838 1/20 0.38
ALDH1A3 P47895 1/20 0.38
EGFR P00533 1/20 0.36
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
TYR P14679 1/20 0.35
PTGS2 P35354 1/20 0.35
RAB9A P51151 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
SCHEMBL8474031 0.83 CA2 (0.41) KDM4EHSD17B10MAPTSMN1; SMN2KMT2A
SCHEMBL5993835 0.82 HPGD (0.51) ALDH1A1STSLMNAMAPTHPGD
SCHEMBL965172 0.81 TDP1 (0.55) ALDH1A1LMNAMAPTKMT2A
SCHEMBL3424473 0.79 TDP1 (0.53) ALDH1A1LMNAMAPTKMT2A
Hydrochloric Acid SCHEMBL28294563 0.79 TDP1 (0.53) ALDH1A1LMNAMAPTKMT2A
SCHEMBL15533022 0.78 CA2 (0.56) ALDH5A1ABATALDH1A1KDM4ESTS
SCHEMBL6204063 0.78 CYP2A6 (0.44) ALDH5A1ABATALDH1A1KDM4ESTS
SCHEMBL7761754 0.78 PTPN1 (0.36) LMNAKMT2APTGS2
SCHEMBL27521554 0.78 TDP1 (0.31)
SCHEMBL2265907 0.78 MAOA (0.45) ALDH1A1KDM4ECYP2A6PTGS2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115960023-B Method for preparing 3-phenyl-L-serine or derivative thereof and ethyl ester thereof 苏州引航生物科技有限公司 2024-01-30 CN disclosed
CN-115960023-A Method for preparing 3-phenyl-L-serine or derivative and ethyl ester thereof 苏州引航生物科技有限公司 2023-04-14 CN disclosed
CN-115819299-A Method for preparing 3-phenyl-L-serine or derivative and ethyl ester thereof 苏州引航生物科技有限公司 2023-03-21 CN disclosed
CN-111377839-B Method for preparing 3-phenyl-L-serine or derivative and ethyl ester thereof 苏州引航生物科技有限公司 2022-06-17 CN disclosed
CN-111377839-A Method for preparing 3-phenyl-L-serine or derivative and ethyl ester thereof 苏州引航生物科技有限公司 2020-07-07 CN disclosed
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
CN-101006085-A Substituted hydantoins HOFFMANN LA ROCHE (CH) 2007-07-25 CN disclosed
CN-1279026-C Prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LAB (US) 2006-10-11 CN disclosed
CN-1261412-C Indole derivatives as COXII inhibitors HOFFMANN LA ROCHE (CH) 2006-06-28 CN disclosed
CN-1561334-A Indole derivatives as COXII inhibitors HOFFMANN LA ROCHE (CH) 2005-01-05 CN disclosed
CN-1167687-C Arylpyridazinones as prostaglandin endoperoxide H synthase biosynthesis inhibitors ���Ͽع����޹�˾ 2004-09-22 CN disclosed
CN-1342149-A Prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LAB (US) 2002-03-27 CN disclosed
CN-1277605-A Arylpyridazinones as prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LAB (US) 2000-12-20 CN 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 (1 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-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 ALDH5A1 775/4885ABAT 247/4885ALDH1A1 806/4885

“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.