SCHEMBL5635675

SCHEMBL5635675

Oc1cc(Cl)c(S)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 9/20 0.60
TSHR P16473 7/20 0.60
HPGD P15428 7/20 0.60
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSP90AA1 P07900 3/20 0.42
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ADRA1A P35348 1/20 0.34
TTR P02766 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
ESR2 Q92731 1/20 0.33
CASP1 P29466 1/20 0.33
RECQL P46063 1/20 0.33
ALOX15 P16050 2/20 0.32
ALOX12 P18054 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL13623675 0.89 HSD17B10 (0.60) HSD17B10TSHRHPGDALDH1A1CYP3A4
SCHEMBL15149919 0.86 HSD17B10 (0.48) HSD17B10TSHRHPGDALDH1A1CYP3A4
SCHEMBL4306430 0.82 CYP3A4 (0.35) HSD17B10TSHRHPGDALDH1A1CYP3A4
SCHEMBL48305 0.82 HSD17B10 (0.86) HSD17B10TSHRHPGDALDH1A1CYP3A4
SCHEMBL10825844 0.80 HSD17B10 (0.55) HSD17B10TSHRHPGDALDH1A1CYP3A4
Triclofenol SCHEMBL1338 0.76 HSD17B10 (1.00) HSD17B10TSHRHPGDALDH1A1CYP3A4
SCHEMBL592892 0.76 HSD17B10 (0.75) HSD17B10TSHRHPGDALDH1A1CYP3A4
SCHEMBL1436824 0.76 AHR (0.44) HSD17B10TSHRHPGDALDH1A1CYP3A4
Triclofenol SCHEMBL29387498 0.76 HSD17B10 (1.00) HSD17B10TSHRHPGDALDH1A1CYP3A4
SCHEMBL6518998 0.73 AHR (0.42) HSD17B10TSHRHPGDCYP3A4CASP1

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
US-20070054912-A1 Modulators of acetylcholine receptors ASTLES PETER C 2007-03-08 US disclosed
US-7148236-B2 Modulators of acetylcholine receptors MERCK & CO., INC. (US) 2006-12-12 US disclosed
US-20050182088-A1 Modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-08-18 US disclosed
EP-1472248-A1 MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2004-11-03 EP disclosed
WO-2003062235-A1 MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2003-07-31 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 (2 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-20050182088-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 HSD17B10 1779/4885TSHR 59/4885HPGD 910/4885
US-20070054912-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 HSD17B10 2070/4885TSHR 82/4885HPGD 1160/4885

“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.