SCHEMBL3876863

SCHEMBL3876863

CN(Cc1cccc(C(=O)NCc2ccc(C(=O)O)cc2)c1)S(=O)(=O)c1cc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.49
MMP13 P45452 1/20 0.48
EPHX2 P34913 1/20 0.48
POLB P06746 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CNR2 P34972 2/20 0.45
HDAC1 Q13547 2/20 0.45
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP5 Q96HI0 1/20 0.43
SENP2 Q9HC62 1/20 0.43
SENP1 Q9P0U3 1/20 0.43
CXCR3 P49682 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL3872970 0.92 ROCK2 (0.45) NR1H4EPHX2POLBALDH1A1MAPT
SCHEMBL3880937 0.91 RAB9A (0.52) MMP13POLBALDH1A1MAPTLMNA
SCHEMBL3882913 0.89 LSS (0.48) POLBALDH1A1MAPTLMNAGAA
SCHEMBL3886237 0.87 TRPM8 (0.49) MMP13ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3885140 0.82 NR1H4 (0.60) NR1H4MMP13EPHX2POLBALDH1A1
SCHEMBL3879707 0.81 RAB9A (0.53) ALDH1A1MAPTLMNARAB9ASMN1; SMN2
SCHEMBL3882723 0.80 ALDH1A1 (0.51) POLBALDH1A1LMNAGAACNR2
SCHEMBL3887293 0.80 MAPT (0.49) ALDH1A1MAPTLMNARAB9ASMN1; SMN2
SCHEMBL3872649 0.78 ALDH1A1 (0.49) ALDH1A1LMNAHSD17B10RAB9ASMN1; SMN2
SCHEMBL3872157 0.78 PPARG (0.45) ALDH1A1MAPTLMNAHDAC1RAB9A

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 NR1H4 73/4885MMP13 637/4885EPHX2 505/4885

“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.