SCHEMBL7900312

SCHEMBL7900312

COC(=O)c1cc(Cc2ccc3c(c2)C[C@@H](NC(=O)OCc2ccccc2)C3)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
ACHE P22303 2/20 0.47
TACR1 P25103 3/20 0.44
CCR2 P41597 2/20 0.41
CCR3 P51677 1/20 0.41
MTTP P55157 7/20 0.41
APOB P04114 6/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCD Q05655 1/20 0.39
EPHX1 P07099 1/20 0.39
RORC P51449 1/20 0.39
SMO Q99835 2/20 0.38

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
SCHEMBL11898829 1.00 CA1 (0.47) CA1CA2ACHETACR1CCR2
SCHEMBL7896643 0.87 TACR1 (0.47) CA1CA2ACHETACR1MTTP
SCHEMBL11898600 0.84 TACR1 (0.44) CA1CA2ACHETACR1CCR2
SCHEMBL1421067 0.81 CA1 (0.59) CA1CA2ACHEALDH1A1GAA
SCHEMBL1590778 0.81 CA1 (0.59) CA1CA2ACHEALDH1A1GAA
SCHEMBL1421070 0.81 CA1 (0.59) CA1CA2ACHEALDH1A1GAA
SCHEMBL11898633 0.80 NOTUM (0.44) CA1CA2ALDH1A1GAATSHR
SCHEMBL7898428 0.80 NOTUM (0.44) CA1CA2ALDH1A1GAATSHR
SCHEMBL11899768 0.79 GRIA2 (0.47) CCR2MTTPAPOB
SCHEMBL7898932 0.79 GRIA2 (0.47) CCR2MTTPAPOB

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 CA1 924/4885CA2 1577/4885ACHE 78/4885

“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.