SCHEMBL8170997

SCHEMBL8170997

CCCS(=O)(=O)Nc1ccccc1C(C)C

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
POLB P06746 1/20 0.57
NPC1 O15118 1/20 0.50
KCNA5 P22460 1/20 0.48
PARP14 Q460N5 1/20 0.46
PSIP1 O75475 1/20 0.45
PTGS1 P23219 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NLRP3 Q96P20 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
PGAM1 P18669 1/20 0.40

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
SCHEMBL17914522 0.88 L3MBTL1 (0.68) L3MBTL1POLBNPC1KCNA5PARP14
SCHEMBL13848265 0.79 PARP14 (0.49) L3MBTL1KCNA5PARP14PTGS1TP53
SCHEMBL19333353 0.79 L3MBTL1 (0.60) L3MBTL1POLBNPC1PSIP1NLRP3
SCHEMBL10192207 0.77 TP53 (0.51) KCNA5PARP14PSIP1PTGS1CYP3A4
SCHEMBL28215783 0.77 PARP14 (0.52) KCNA5PARP14PSIP1PTGS1CYP3A4
SCHEMBL5607024 0.77 L3MBTL1 (1.00) L3MBTL1POLBNPC1GAAPGAM1
SCHEMBL12459797 0.76 PSIP1 (0.77) KCNA5PARP14PSIP1PTGS1CYP3A4
SCHEMBL15915643 0.76 PARP14 (0.48) POLBKCNA5PARP14PSIP1PTGS1
SCHEMBL21544195 0.75 L3MBTL1 (0.70) L3MBTL1POLBNPC1GAAMAPT
SCHEMBL15614459 0.75 L3MBTL1 (0.70) L3MBTL1POLBNPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT L3MBTL1 4883/4885POLB 1491/4885NPC1 1955/4885

“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.