SCHEMBL6906409

SCHEMBL6906409

Cc1cc2c3c(c1)CCN3S(=O)(=O)NCC2

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
NOTUM Q6P988 1/20 0.30
PTPN2 P17706 1/20 0.30
GRIA2 P42262 1/20 0.30

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
SCHEMBL6907075 0.84 TSHR (0.32) PARP10PARP11
SCHEMBL6906414 0.80 CA12 (0.43) NOTUM
SCHEMBL6906516 0.67 PARP10 (0.44) PARP10PARP11
SCHEMBL12296888 0.64 KMT2A (0.39) NOTUM
SCHEMBL19219779 0.62 CA12 (0.60)
SCHEMBL10192172 0.61 ADRB1 (0.50) NOTUM
SCHEMBL21266522 0.61 CA1 (0.49) PARP10PARP11GRIA2
SCHEMBL30485944 0.61 CA1 (0.49) PARP10PARP11GRIA2
SCHEMBL21533327 0.60 PARP10 (0.44) PARP10PARP11NOTUMGRIA2
SCHEMBL8358601 0.60 ADRB1 (0.42) PIK3C3

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 PIK3C3 3234/4885PARP10 1628/4885PARP11 716/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 PIK3C3 4178/4885PARP10 3478/4885PARP11 2508/4885

“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.