SCHEMBL3613839

SCHEMBL3613839

O=C1c2sccc2CSc2cccc(O)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
USP2 O75604 3/20 0.40
KMT2A Q03164 3/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
CYP3A4 P08684 2/20 0.40
HPN P05981 1/20 0.40
ALOX5 P09917 1/20 0.40
THRB P10828 1/20 0.40
PTGS1 P23219 1/20 0.40
PDE4A P27815 1/20 0.40
KDR P35968 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MAOA P21397 4/20 0.40

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
SCHEMBL3619699 0.82 ALDH1A1 (0.33) ALDH1A1NOTUMCES1
SCHEMBL3617351 0.82 MAPK14 (0.34) ALDH1A1CES1
SCHEMBL3618237 0.79 KMT2A (0.35) MAPTALDH1A1TDP1USP2KMT2A
SCHEMBL3612591 0.77 CXCR2 (0.37) MAPTALDH1A1KMT2ALMNAKDM4E
SCHEMBL3621875 0.73 METAP1 (0.41) MAPTKMT2ALMNAPOLBELANE
SCHEMBL3621861 0.71 MAPT (0.38) MAPTALDH1A1TSHRTDP1USP2
SCHEMBL5764585 0.71 PDK1 (0.44)
SCHEMBL3624434 0.71 NPSR1 (0.40) MAPTALDH1A1TSHRTDP1HSD17B10
SCHEMBL15143243 0.70 MAOA (0.55) MAPTALDH1A1TSHRTDP1USP2
SCHEMBL14052957 0.67 NOTUM (0.47) MAPTALDH1A1TDP1KMT2AALOX15

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 MAPT 4871/4885ALDH1A1 2691/4885TSHR 980/4885

“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.