SCHEMBL4656264

SCHEMBL4656264

C[C@@H](C(=O)O)N(C)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP2C9 P11712 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALOX5 P09917 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DAO P14920 1/20 0.39
TSHR P16473 1/20 0.37
CES2 O00748 1/20 0.36

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
SCHEMBL4656266 1.00 CYP2C19 (0.42) CYP2C19MEN1GAAKMT2AHSD17B10
SCHEMBL30404210 1.00 CYP2C19 (0.42) CYP2C19MEN1GAAKMT2AHSD17B10
SCHEMBL8345196 0.83 ALDH1A1 (0.45) CYP2C19MEN1GAAKMT2AHSD17B10
SCHEMBL31357263 0.80 POLB (0.41) CYP2C19ALDH1A1CYP2C9HPGDLMNA
SCHEMBL28425025 0.80 CYP2C19 (0.41) CYP2C19MEN1GAAKMT2AHSD17B10
SCHEMBL7775515 0.79 CYP2C19 (0.40) CYP2C19MEN1GAAKMT2AHSD17B10
SCHEMBL7775511 0.79 CYP2C19 (0.40) CYP2C19MEN1GAAKMT2AHSD17B10
SCHEMBL28289230 0.78 HSD17B10 (0.35) MEN1GAAKMT2AHSD17B10ALDH1A1
SCHEMBL3836356 0.77 ALOX5 (0.47) CYP2C19MEN1GAAKMT2AHSD17B10
SCHEMBL28264681 0.77 CYP2C19 (0.39) CYP2C19MEN1GAAKMT2AHSD17B10

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
US-20160244484-A1 ANTI-INFLAMMATORY TRIPEPTIDES DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2016-08-25 US claimed
EP-3049428-A1 ANTI-INFLAMMATORY TRIPEPTIDES Dr. August Wolff GmbH & Co. KG Arzneimittel (DE) 2016-08-03 EP claimed
WO-2015040235-A1 ANTI-INFLAMMATORY TRIPEPTIDES DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2015-03-26 WO claimed
EP-1006122-B1 PHENETHYLAMINE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-12-03 EP claimed
US-10954269-B2 Anti-inflammatory tripeptides DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2021-03-23 US disclosed
US-20190153029-A1 ANTI-INFLAMMATORY TRIPEPTIDES DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2019-05-23 US disclosed
US-10227379-B2 Anti-inflammatory tripeptides DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2019-03-12 US disclosed
US-20160244484-A1 ANTI-INFLAMMATORY TRIPEPTIDES DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2016-08-25 US disclosed
EP-3049428-A1 ANTI-INFLAMMATORY TRIPEPTIDES Dr. August Wolff GmbH & Co. KG Arzneimittel (DE) 2016-08-03 EP disclosed
WO-2015040235-A1 ANTI-INFLAMMATORY TRIPEPTIDES DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2015-03-26 WO disclosed
EP-1006122-B1 PHENETHYLAMINE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-12-03 EP disclosed
US-6255285-B1 GASTROINTESTINAL DISORDERS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-07-03 US disclosed
CN-1272114-A Phenethylamine derivatives CHUGAI PHARMACEUTICAL CO LTD (JP) 2000-11-01 CN disclosed
EP-1006122-A1 PHENETHYLAMINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-06-07 EP 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 (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-20160244484-A1 ANTI-INFLAMMATORY TRIPEPTIDES VIP, TNF, ENPEP CYP2C19 2488/4885MEN1 3418/4885GAA 1765/4885
US-20190153029-A1 ANTI-INFLAMMATORY TRIPEPTIDES VIP, TNF, ENPEP CYP2C19 2488/4885MEN1 3418/4885GAA 1765/4885
US-10954269-B2 Anti-inflammatory tripeptides VIP, TNF, ENPEP CYP2C19 2488/4885MEN1 3418/4885GAA 1765/4885
US-10227379-B2 Anti-inflammatory tripeptides VIP, TNF, ENPEP CYP2C19 2488/4885MEN1 3418/4885GAA 1765/4885

“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.