SCHEMBL6803189

SCHEMBL6803189

Cc1ccc(C[C@H](CC(N)=O)OS(C)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
LDHA P00338 1/20 0.34
ACACB O00763 1/20 0.34
PTPRB P23467 1/20 0.34

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
SCHEMBL27360862 0.88 KDM4E (0.40) CA1CA2CA9KMT2ALDHA
SCHEMBL6802676 0.83 CA2 (0.43) ALDH1A1CA1CA2CA9NPC1
SCHEMBL6798434 0.81 S1PR2 (0.46) ALDH1A1CA1CA2CA9PPARA
SCHEMBL6798436 0.81 ESR1 (0.43) ALDH1A1CA1CA2GAA
SCHEMBL6795555 0.80 HTR2A (0.46) CA2PPARGPPARA
SCHEMBL6803288 0.80 AKR1C3 (0.41) CYP2C19PPARGPPARALDHA
SCHEMBL14672759 0.74 CYP2C19 (0.44) ALDH1A1CA2CYP2C19GAAMAPK1
SCHEMBL8446170 0.73 KMT2A (0.47) ALDH1A1PPARGPPARAKMT2A
SCHEMBL21427056 0.73 EPHX1 (0.43) ALDH1A1CYP2C19GAAMAPK1PARP10
SCHEMBL6807540 0.73 EPHX1 (0.43) ALDH1A1CA2CYP2C19GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063959-A1 Esters and amides as PLA2 inhibitors FUKAMI NAOKI (JP) 2004-04-01 US disclosed
US-20020169326-A1 Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 2002-11-14 US disclosed
EP-0854863-B1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-10-30 EP disclosed
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-14 US disclosed
EP-0854863-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed
WO-1997003951-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-06 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-20040063959-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B ALDH1A1 800/4885CA1 2060/4885CA2 450/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B ALDH1A1 700/4885CA1 1635/4885CA2 445/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B ALDH1A1 737/4885CA1 1900/4885CA2 395/4885

“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.