SCHEMBL3872637

SCHEMBL3872637

CN(C)C(=O)c1cccc(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.56
KMT2A Q03164 2/20 0.52
LIPG Q9Y5X9 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
OPRK1 P41145 1/20 0.50
HTT P42858 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
NOS2 P35228 1/20 0.49
GAA P10253 2/20 0.49
MMP1 P03956 1/20 0.49
MMP12 P39900 1/20 0.49
CA12 O43570 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
ATM Q13315 1/20 0.49
CA9 Q16790 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL3877107 0.88 HPGD (0.60) CYP19A1KMT2AHDAC2HDAC8HDAC6
SCHEMBL3873636 0.86 CYP19A1 (0.59) CYP19A1HDAC2HDAC8HDAC6HTT
SCHEMBL3883213 0.84 CYP19A1 (0.57) CYP19A1HDAC2HDAC8HDAC6OPRK1
SCHEMBL3874748 0.84 NAMPT (0.60) CYP19A1HDAC2HDAC8HDAC6HTT
SCHEMBL3875842 0.82 HTT (0.75) HDAC2HDAC8HDAC6OPRK1HTT
SCHEMBL3873566 0.81 HSD11B1 (0.63) CYP19A1KMT2AHDAC2HDAC8HDAC6
SCHEMBL3884841 0.79 GPR17 (0.68) CYP19A1KMT2AGPR55NOS2CA12
SCHEMBL3873492 0.78 RAB9A (0.76) KMT2AHTTCYP1A2ALDH1A1LMNA
SCHEMBL3874054 0.78 RAB9A (0.62) CYP19A1HTTALDH1A1LMNAHPGD
SCHEMBL1048486 0.78 AKR1C3 (0.66) CYP19A1HDAC2HDAC8HDAC6HTT

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 CYP19A1 23/4885KMT2A 1867/4885LIPG 3043/4885

“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.