SCHEMBL6360802

SCHEMBL6360802

COC(=O)c1ccc(C(=O)CC(C)C)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 1/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
HPGD P15428 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 5/20 0.45
GSK3B P49841 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
STING1 Q86WV6 2/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL4674750 0.84 DAO (0.48) HPGDALDH1A1GSK3BNPC1RAB9A
SCHEMBL70027 0.81 NPSR1 (0.67) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL6361647 0.81 NPSR1 (0.44) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL6361649 0.81 NPSR1 (0.44) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL277652 0.79 GSK3B (0.56) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL10161070 0.77 NPSR1 (0.53) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL8185273 0.76 HPGD (0.56) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL1303016 0.75 NPSR1 (0.60) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL27432329 0.75 GSK3B (0.61) HPGDL3MBTL1MAPK1ALDH1A1GSK3B
SCHEMBL1588287 0.75 NPSR1 (0.51) NPSR1LMNAPPARGNCOA2NCOA1

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-20050154048-A1 Novel acyl hydrazino thiophene derivatives, process for preparing them, their use as medicinal products, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2005-07-14 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-20050154048-A1 Novel acyl hydrazino thiophene derivatives, process for preparing them, their use as medicinal products, pharmaceutical compositions and novel use CTSZ, CTSE, CTSS NPSR1 1082/4885LMNA 4490/4885PPARG 1068/4885

“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.