SCHEMBL3883802

SCHEMBL3883802

N#Cc1ccc(-c2ccc(S(=O)(=O)NCc3cccc(C(=O)NC4CCCCC4)c3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.57
TSHR P16473 2/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD11B1 P28845 3/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.52
HK1 P19367 1/20 0.48
HK2 P52789 1/20 0.48
KAT6A Q92794 1/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ROCK2 O75116 1/20 0.46
PKN2 Q16513 1/20 0.46

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
SCHEMBL3875950 0.89 TSHR (0.61) TSHRLMNAHTTSMN1; SMN2HSD11B1
SCHEMBL3874725 0.88 ALDH1A1 (0.59) CYP19A1HTTSMN1; SMN2KMT2AHK1
SCHEMBL3873213 0.84 CYP19A1 (0.70) CYP19A1HK1HK2KAT6A
SCHEMBL3876662 0.81 HSD11B1 (0.60) CYP19A1TSHRLMNAHTTSMN1; SMN2
SCHEMBL3875005 0.79 CYP19A1 (0.66) CYP19A1LMNAKAT6AHPGD
SCHEMBL3874284 0.78 CYP19A1 (0.58) CYP19A1LMNAHTTRAB9AKAT6A
SCHEMBL3872680 0.77 ALDH1A1 (0.64) LMNAHTTSMN1; SMN2RAB9AKMT2A
SCHEMBL3877412 0.77 CYP19A1 (0.62) CYP19A1LMNAHTTSMN1; SMN2HSD11B1
SCHEMBL26407280 0.74 RAB9A (0.69) HTTSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL3876258 0.73 HSD11B1 (0.56) TSHRLMNAHTTSMN1; SMN2HSD11B1

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 23/4885TSHR 1363/4885LMNA 2473/4885

“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.