SCHEMBL3797729

SCHEMBL3797729

C=Cc1cc(C(C)(C)C(=O)OCC)cc(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.45
▸ FBP1 P09467 2/20 0.37
▸ KMT2A Q03164 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ABCB11 O95342 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ F2 P00734 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ PLG P00747 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL3799616 0.80 CNR2 (0.59) CNR2FBP1RORCABCB11CYP1A2
SCHEMBL3794184 0.75 CNR2 (0.48) CNR2FBP1RORCPOLBMAPT
SCHEMBL27944532 0.71 SMN1; SMN2 (0.45) KMT2AMAPTRAB9ACYP3A4TSHR
SCHEMBL31292359 0.70 CNR2 (0.45) CNR2FBP1RORCMAPTTSHR
SCHEMBL30192734 0.70 CNR2 (0.45) CNR2RORCMAPTRAB9ATSHR
SCHEMBL14035562 0.70 CNR2 (0.45) CNR2RORCMAPTRAB9ATSHR
SCHEMBL3800196 0.70 CYP4F2 (0.46) KMT2ACYP1A2KDM4ELMNA
SCHEMBL4415445 0.70 CNR2 (0.44) CNR2TSHR
SCHEMBL3800355 0.70 CNR2 (0.44) CNR2
SCHEMBL1626657 0.68 CNR2 (0.48) CNR2KMT2ARORCMAPTABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902394-B2 Calcilytic compounds GLAXOSMITHKLINE LLC (US) 2011-03-08 — — US disclosed
US-20100029782-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION (US) 2010-02-04 — — US disclosed
EP-2120898-A1 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2009-11-25 — — EP disclosed
WO-2008077009-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 — — 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-20100029782-A1 Calcilytic Compounds CALCR, CALCA, CALCB CNR2 1616/4885FBP1 395/4885KMT2A 4864/4885

“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.

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