SCHEMBL7898932

SCHEMBL7898932

COC(=O)c1cc(Cc2ccc3c(c2)C[C@@H](NS(=O)(=O)C(F)(F)F)C3)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 13/20 0.47
CNR1 P21554 1/20 0.42
NOTUM Q6P988 1/20 0.40
TBXA2R P21731 1/20 0.38
CCR2 P41597 1/20 0.37
APOB P04114 1/20 0.36
MTTP P55157 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
NR1H2 P55055 1/20 0.36

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
SCHEMBL11899768 1.00 GRIA2 (0.47) GRIA2CNR1NOTUMTBXA2RCCR2
SCHEMBL585571 0.89 GRIA2 (0.58) GRIA2CNR1
SCHEMBL585570 0.89 GRIA2 (0.58) GRIA2CNR1
SCHEMBL7898428 0.84 NOTUM (0.44) CNR1NOTUM
SCHEMBL11898633 0.84 NOTUM (0.44) CNR1NOTUM
SCHEMBL7898941 0.84 GRIA2 (0.56) GRIA2TBXA2RAPOBMTTP
SCHEMBL11899839 0.84 GRIA2 (0.56) GRIA2TBXA2RAPOBMTTP
SCHEMBL7900312 0.79 CA1 (0.47) CCR2APOBMTTP
SCHEMBL11898829 0.79 CA1 (0.47) CCR2APOBMTTP
SCHEMBL7896649 0.76 GRIA2 (0.56) GRIA2APOBMTTP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633237-B2 Indane derivatives MERCK SHARP & DOHME B.V. (NL) 2014-01-21 US disclosed
US-8633237-B2 Indane derivatives MERCK SHARP & DOHME B.V. (NL) 2014-01-21 US disclosed
US-8633237-B2 Indane derivatives MERCK SHARP & DOHME B.V. (NL) 2014-01-21 US disclosed
EP-2417101-B1 INDANE DERIVATIVES MERCK SHARP & DOHME (NL) 2013-10-23 EP disclosed
US-20120202781-A1 INDANE DERIVATIVES MSD OSS B.V. (NL) 2012-08-09 US disclosed
US-20120202781-A1 INDANE DERIVATIVES MSD OSS B.V. (NL) 2012-08-09 US disclosed
US-20120202781-A1 INDANE DERIVATIVES MSD OSS B.V. (NL) 2012-08-09 US disclosed
CN-102365265-A Indane derivatives ORGANON NV 2012-02-29 CN disclosed
WO-2010115952-A1 INDANE DERIVATIVES N.V. ORGANON (NL) 2010-10-14 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-20120202781-A1 INDANE DERIVATIVES CHRNA5, CHRNA2, GRIK5 GRIA2 24/4885CNR1 97/4885NOTUM 518/4885

“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.