SCHEMBL12650461

SCHEMBL12650461

CCc1ccc(-c2ccc(S)cc2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.40
RXRA P19793 3/20 0.38
RXRB P28702 3/20 0.38
RXRG P48443 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
HAO1 Q9UJM8 1/20 0.33
RARB P10826 1/20 0.33
FAAH O00519 1/20 0.32
BCL2 P10415 1/20 0.32
HSD17B2 P37059 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 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
SCHEMBL16677142 0.83 NOS3 (0.38) NOS3NOS1NOS2
SCHEMBL10304837 0.80 TNKS2 (0.45) HSD17B1RXRARXRBRXRGALDH1A1
SCHEMBL12603786 0.80 ALOX5 (0.41) HSD17B1RXRARXRBRXRGALDH1A1
SCHEMBL12603825 0.77 LMNA (0.48) TSHRTP53HPGD
SCHEMBL12648767 0.77 MAPT (0.42) HSD17B1ALDH1A1CYP3A4TSHRTDP1
SCHEMBL13365307 0.77 HSD17B1 (0.67) HSD17B1RXRARXRBRXRGRARB
SCHEMBL18666507 0.77 RARB (0.38) HSD17B1RXRARXRBRXRGALDH1A1
SCHEMBL13061700 0.76 HSD17B1 (0.40) HSD17B1RXRARXRBHAO1RARB
SCHEMBL13699919 0.76 CYP2A6 (0.47) ALDH1A1TSHR
SCHEMBL12603784 0.76 RXRA (0.55) RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 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-20110118282-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A2, GUCY1A1 HSD17B1 1427/4885RXRA 3906/4885RXRB 4159/4885

“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.