SCHEMBL3874658

SCHEMBL3874658

COC(=O)c1ccc(CNC(=O)c2cccc(CNCS(=O)(=O)c3cccc(Cl)c3C)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.47
ROCK1 Q13464 2/20 0.47
MMP13 P45452 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 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
SCHEMBL3884734 0.88 MAPT (0.51) ROCK2ROCK1MMP13NPC1RAB9A
SCHEMBL3874660 0.83 ROCK2 (0.49) ROCK2ROCK1MMP13NPC1RAB9A
SCHEMBL3883349 0.81 MRGPRX4 (0.52) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3886516 0.80 PFKFB3 (0.54) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3880933 0.77 CYP2C9 (0.47) ROCK2ROCK1MMP13RAB9AMEN1
SCHEMBL3872896 0.77 LMNA (0.52) ROCK2NPC1RAB9AMEN1KMT2A
SCHEMBL3873274 0.75 FABP4 (0.49) MAPTALDH1A1GAA
SCHEMBL3872528 0.74 MMP13 (0.50) ROCK2MMP13NPC1RAB9AMEN1
SCHEMBL4176458 0.74 LMNA (0.57) RAB9AMEN1KMT2AMAPTNPSR1
SCHEMBL3872830 0.73 ROCK2 (0.46) ROCK2NPC1RAB9AMEN1KMT2A

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 4 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
EP-1814846-A1 11BETA-HSD1 INHIBITORS Evotec AG (DE) 2007-08-08 EP disclosed
WO-2006048330-A1 11ΒΕΤΑ-HSD1 INHIBITORS EVOTEC AG (DE) 2006-05-11 WO 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 ROCK2 997/4885ROCK1 596/4885MMP13 637/4885

“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.