SCHEMBL3601941

SCHEMBL3601941

COC(=O)NCc1ccc(Oc2cc(O)cc(C(=O)OC)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK14 Q16539 2/20 0.42
MAPT P10636 2/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
EPHX2 P34913 1/20 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
SCHEMBL3604491 0.84 TSHR (0.43) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL851943 0.80 CA12 (0.47) CA1CA2CA12CA7CA9
SCHEMBL12487336 0.78 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL2656111 0.78 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL3600119 0.78 MAPT (0.58) CA1CA2CA12CA7CA9
SCHEMBL710275 0.78 CA12 (0.59) CA1CA2CA12CA7CA9
SCHEMBL184222 0.76 MAPK14 (0.58) MEN1KMT2ASMN1; SMN2MAPK14MAPT
SCHEMBL2086052 0.76 CA12 (0.53) CA1CA2CA12CA7CA9
SCHEMBL3599023 0.76 CA1 (0.53) CA1CA2CA12CA7CA9
SCHEMBL6350638 0.76 CA1 (0.60) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754743-B2 Heteroarylcarbamoylbenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US disclosed
US-7432287-B2 Heteroarylcarbamoylbenzene derivative BANYU PHARMECEUTICAL CO., LTD. (JP) 2008-10-07 US disclosed
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative MSD K.K. (JP) 2006-07-27 US disclosed
EP-1600442-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 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 (2 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-20090018056-A1 Heteroarylcarbamoylbenzene derivatives GCK, GCKR, KHK CA1 2194/4885CA2 593/4885CA12 2609/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 CA1 3859/4885CA2 1370/4885CA12 3515/4885

“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.