SCHEMBL642893

SCHEMBL642893

CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.59
TSHR P16473 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 2/20 0.55
GAA P10253 1/20 0.55
TP53 P04637 1/20 0.53

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
SCHEMBL641131 0.88 ALDH1A1 (0.59) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL640994 0.86 ACHE (0.51) ALDH1A1SMN1; SMN2TSHRL3MBTL1MEN1
SCHEMBL5073382 0.85 GAA (0.52) ALDH1A1SMN1; SMN2TSHRL3MBTL1MEN1
SCHEMBL9965439 0.83 KMT2A (0.53) ALDH1A1LMNASMN1; SMN2L3MBTL1MEN1
SCHEMBL640990 0.82 STS (0.52) RAB9AKMT2AMAPTGAA
SCHEMBL642341 0.82 ACHE (0.66) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL9965441 0.82 SMN1; SMN2 (0.48) SMN1; SMN2TSHRMEN1KMT2AMAPT
SCHEMBL641183 0.82 GAA (0.53) ALDH1A1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL9965398 0.81 SMN1; SMN2 (0.50) LMNASMN1; SMN2TSHRMEN1KMT2A
SCHEMBL9965382 0.81 PTPN1 (0.51) ALDH1A1SMN1; SMN2TSHRL3MBTL1MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 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-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 ALDH1A1 2109/4885LMNA 3969/4885RAB9A 2991/4885

“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.