SCHEMBL3612591

SCHEMBL3612591

O=C1c2sccc2CSc2cccc(Nc3cc(Cl)ccc3O)c21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.37
KCNMA1 Q12791 5/20 0.37
WDR5 P61964 1/20 0.33
MAPT P10636 3/20 0.32
GAA P10253 2/20 0.31
KDM4E B2RXH2 2/20 0.31
KMT2A Q03164 1/20 0.31
KDM1A O60341 1/20 0.31
POLB P06746 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B3 P37058 2/20 0.30

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
SCHEMBL3615403 0.81 MEN1 (0.33) MAPTKMT2ANPC1RAB9A
SCHEMBL3621237 0.80 CXCR2 (0.36) CXCR2KCNMA1WDR5MAPTGAA
SCHEMBL3613839 0.77 MAPT (0.40) MAPTKDM4EKMT2APOLBALDH1A1
SCHEMBL3617351 0.69 MAPK14 (0.34) GAAALDH1A1
SCHEMBL3619699 0.69 ALDH1A1 (0.33) ALDH1A1
SCHEMBL5764585 0.68 PDK1 (0.44)
SCHEMBL3624434 0.68 NPSR1 (0.40) MAPTGAAKDM4EPOLBALDH1A1
SCHEMBL5764100 0.68 PDK1 (0.44)
SCHEMBL3618237 0.66 KMT2A (0.35) MAPTKDM4EKMT2APOLBALDH1A1
SCHEMBL11091688 0.64 CXCR2 (0.57) CXCR2KCNMA1MAPTGAAKDM4E

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-20100267796-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME KYOWA HAKKO KOGYO CO., LTD. (JP) 2010-10-21 US disclosed
EP-2077122-A1 THERAPEUTIC AGENTS FOR IRRITABLE BOWEL SYNDROME Kyowa Hakko Kirin Co., Ltd. (JP) 2009-07-08 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-20100267796-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME SLC10A2, ADORA3, HRH2 CXCR2 915/4885KCNMA1 2178/4885WDR5 943/4885

“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.