SCHEMBL3501304

SCHEMBL3501304

CCCc1c(C(=O)N[C@@H](CCSC)C(=O)O)oc2cc(-c3ccc(Cl)cc3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FNTA P49354 5/20 0.43
FNTB P49356 5/20 0.43
CA2 P00918 4/20 0.41
CA1 P00915 3/20 0.41
USP2 O75604 2/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
SLC10A1 Q14973 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3501302 1.00 ALDH1A1 (0.44) ALDH1A1NPSR1FNTAFNTBCA2
SCHEMBL3500038 0.90 PPID (0.38) ALDH1A1NPSR1FNTAFNTBTSHR
SCHEMBL3500039 0.90 PPID (0.38) ALDH1A1NPSR1FNTAFNTBTSHR
SCHEMBL3498408 0.87 ALDH1A1 (0.49) ALDH1A1NPSR1FNTAFNTBCA2
SCHEMBL3498404 0.87 ALDH1A1 (0.49) ALDH1A1NPSR1FNTAFNTBCA2
SCHEMBL3498622 0.81 KMT2A (0.41) ALDH1A1NPSR1CA2CA1TP53
SCHEMBL3499404 0.79 PPID (0.41) ALDH1A1NPSR1FNTAFNTBTSHR
SCHEMBL3499402 0.79 PPID (0.41) ALDH1A1NPSR1FNTAFNTBTSHR
SCHEMBL3500127 0.78 ITGB2 (0.55) ALDH1A1MEN1KMT2A
SCHEMBL3500128 0.78 ITGB2 (0.55) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 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 (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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 ALDH1A1 3047/4885NPSR1 101/4885FNTA 1894/4885

“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.