SCHEMBL6907798

SCHEMBL6907798

Cc1ccc2c(c1)COC(=S)N2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 3/20 0.42
MMP12 P39900 1/20 0.40
GAA P10253 3/20 0.35
MGAM O43451 2/20 0.35
SI P14410 2/20 0.35
MGAM2 Q2M2H8 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 2/20 0.35
EPHX2 P34913 1/20 0.34
CHRM1 P11229 1/20 0.33
PGR P06401 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PSMB8 P28062 1/20 0.33
KEAP1 Q14145 1/20 0.33
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 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
SCHEMBL434348 0.79 CYP11B1 (0.51) HTR5AMMP12GAAMGAMSI
SCHEMBL3993853 0.73 MAPT (0.50) HTR5AGAAALDH1A1MAPTKDM4E
SCHEMBL2468491 0.72 MAPT (0.53) HTR5AMMP12GAAALDH1A1MAPT
SCHEMBL6820066 0.70 CYP1A2 (0.49) HTR5AMMP12ALDH1A1MAPTEPHX2
SCHEMBL12859454 0.70 MMP12 (0.54) HTR5AMMP12EPHX2CYP1A2POLB
SCHEMBL29429220 0.70 MMP12 (0.54) HTR5AMMP12EPHX2CYP1A2POLB
SCHEMBL11927570 0.70 HTR5A (0.52) HTR5AALDH1A1MAPTHSD17B10EPHX2
SCHEMBL6906460 0.69 HTR5A (0.44) HTR5AGAAALDH1A1MAPTHSD17B10
SCHEMBL11707325 0.68 EPHX2 (0.45) HTR5AGAAALDH1A1MAPTHSD17B10
SCHEMBL9740131 0.67 PDE3B (0.57) MAPTPGRCYP11B1CYP11B2

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-8541404-B2 Inhibitors of the human aldosterone synthase CYP11B2 ELEXOPHARM GMBH (DE) 2013-09-24 US disclosed
US-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-19 US disclosed
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-12 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 (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-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 HSD11B1, HSD11B2, CYP4A11 HTR5A 687/4885MMP12 1308/4885GAA 2057/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 HTR5A 2033/4885MMP12 438/4885GAA 425/4885

“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.