SCHEMBL3625970

SCHEMBL3625970

COC(=O)c1c(OC)cccc1SC(=O)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NCEH1 Q6PIU2 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 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
SCHEMBL10744361 0.87 NCEH1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL10747903 0.86 ALDH1A1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL10742332 0.82 MRGPRX4 (0.43) MAPTNPC1RAB9AL3MBTL1
SCHEMBL6021805 0.81 MTNR1A (0.45) CA12CA1CA2CA7CA9
SCHEMBL10732086 0.79 JAK2 (0.40) CA12CA1CA2CA7CA9
Methyl 2,6-Dimethoxybenzoate SCHEMBL2095636 0.77 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL7025616 0.77 MAPT (0.44) POLBMAPTKMT2ANPC1RAB9A
SCHEMBL28987574 0.75 HSD17B10 (0.54) CA12CA1CA2CA7CA9
SCHEMBL6237235 0.74 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL3549964 0.73 MAPT (0.51) CA12CA1CA2CA7CA9

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 3 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
US-4663344-A ANTIPYRETICS, ANTIARTHRITIC AGENTS MERCK & CO., INC. (US) 1987-05-05 US 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 CA12 2502/4885CA1 2321/4885CA2 310/4885

“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.