SCHEMBL3880933

SCHEMBL3880933

COC(=O)c1ccc(CNC(=O)c2cccc(CNCS(=O)(=O)c3cc4ccccc4s3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 2/20 0.44
MMP13 P45452 2/20 0.43
KDM4E B2RXH2 2/20 0.43
SENP5 Q96HI0 1/20 0.43
SENP2 Q9HC62 1/20 0.43
SENP1 Q9P0U3 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NCOR2 Q9Y618 2/20 0.42
PPARG P37231 2/20 0.42
MAPT P10636 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL3880937 0.83 RAB9A (0.52) CYP2C9SMN1; SMN2RAB9AMMP13KDM4E
SCHEMBL3886234 0.81 MRGPRX4 (0.46) SENP5SENP2SENP1HDAC1
SCHEMBL3874658 0.77 ROCK2 (0.47) CYP2C9SMN1; SMN2RAB9AMMP13MEN1
SCHEMBL3886516 0.76 PFKFB3 (0.54) CYP2C9RAB9AMEN1KMT2AMAPT
SCHEMBL3874272 0.76 POLB (0.49) SMN1; SMN2RAB9ASENP5SENP2SENP1
SCHEMBL3876863 0.74 NR1H4 (0.49) CYP2C9SMN1; SMN2RAB9AMMP13KDM4E
SCHEMBL3872970 0.73 ROCK2 (0.45) CYP2C9SMN1; SMN2RAB9AKDM4ESENP5
SCHEMBL3882913 0.70 LSS (0.48) SMN1; SMN2RAB9ASENP5SENP2SENP1
SCHEMBL3879707 0.70 RAB9A (0.53) SMN1; SMN2RAB9AKDM4EALDH1A1MAPT
SCHEMBL13501297 0.70 MMP13 (0.61) SMN1; SMN2RAB9AMMP13MEN1KMT2A

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
EP-1814846-B1 11BETA-HSD1 INHIBITORS EVOTEC AG (DE) 2009-04-08 EP disclosed
US-20090069323-A1 11beta-hsdi inhibitors EVOTEC AG (DE) 2009-03-12 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-20090069323-A1 11beta-hsdi inhibitors HSD3B1, HSD3B2, HSD11B1 CYP2C9 97/4885SMN1; SMN2 4173/4885RAB9A 4300/4885

“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.