SCHEMBL7903113

SCHEMBL7903113

O=S(=O)(NC1CCc2cc(Cc3cc(CO)cc(C(F)(F)F)c3)ccc21)c1ccco1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 5/20 0.43
CCR2 P41597 6/20 0.36
TRPV1 Q8NER1 1/20 0.36
PPARG P37231 1/20 0.33
PARP1 P09874 1/20 0.33
BDKRB1 P46663 4/20 0.32
KCNA5 P22460 1/20 0.32
HDAC8 Q9BY41 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
SCHEMBL7897262 0.82 GRIA2 (0.43) GRIA2CCR2TRPV1
SCHEMBL7898940 0.82 GRIA2 (0.58) GRIA2CCR2TRPV1BDKRB1
SCHEMBL7898318 0.81 GRIA2 (0.47) GRIA2CCR2TRPV1BDKRB1
SCHEMBL11898515 0.79 GRIA2 (0.70) GRIA2CCR2TRPV1BDKRB1
SCHEMBL7899877 0.77 HTR1A (0.44) GRIA2CCR2TRPV1BDKRB1
SCHEMBL15338340 0.77 CCR2 (0.40) GRIA2CCR2TRPV1
SCHEMBL15327849 0.75 TRPV1 (0.46) GRIA2CCR2TRPV1BDKRB1
SCHEMBL7897498 0.75 GRIA2 (0.46) GRIA2CCR2TRPV1BDKRB1
SCHEMBL7897265 0.73 GRIA2 (0.36) GRIA2CCR2TRPV1BDKRB1
SCHEMBL7901349 0.73 TACR1 (0.47) CCR2TRPV1

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 7 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
EP-2417101-B1 INDANE DERIVATIVES MERCK SHARP & DOHME (NL) 2013-10-23 EP 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
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 24/4885CCR2 2756/4885TRPV1 227/4885

“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.