SCHEMBL3874725

SCHEMBL3874725

N#Cc1ccc(-c2ccc(S(=O)(=O)NCc3cccc(C(=O)NCC4CCCCC4)c3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
PKM P14618 1/20 0.59
CYP19A1 P11511 2/20 0.56
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ROCK2 O75116 4/20 0.49
PKN2 Q16513 1/20 0.49
POLB P06746 1/20 0.48
KAT6A Q92794 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46
CA2 P00918 1/20 0.46
HK1 P19367 1/20 0.46
HK2 P52789 1/20 0.46
OPRK1 P41145 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.45
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44

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
SCHEMBL3872680 0.89 ALDH1A1 (0.64) ALDH1A1PKMKMT2AMEN1POLB
SCHEMBL3883802 0.88 CYP19A1 (0.57) ALDH1A1CYP19A1KMT2AROCK2PKN2
SCHEMBL3874284 0.81 CYP19A1 (0.58) CYP19A1POLBKAT6AOPRK1HTT
SCHEMBL3873213 0.81 CYP19A1 (0.70) CYP19A1POLBKAT6ACA2HK1
SCHEMBL3879290 0.81 ALDH1A1 (0.66) ALDH1A1PKMCYP19A1KMT2AMEN1
SCHEMBL3875005 0.78 CYP19A1 (0.66) CYP19A1POLBKAT6ACA2OPRK1
SCHEMBL3875950 0.77 TSHR (0.61) ALDH1A1KMT2AHDAC6OPRK1SMN1; SMN2
SCHEMBL3877412 0.76 CYP19A1 (0.62) ALDH1A1CYP19A1POLBKAT6AOPRK1
SCHEMBL3875842 0.74 HTT (0.75) ALDH1A1POLBHDAC6CA2OPRK1
SCHEMBL3872261 0.74 ALDH1A1 (0.56) ALDH1A1PKMKMT2AMEN1ROCK2

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 ALDH1A1 210/4885PKM 1568/4885CYP19A1 23/4885

“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.