SCHEMBL686925

SCHEMBL686925

COc1cccc(F)c1Cn1cc(C)c2oc(=O)[nH]c2c1=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
GNRHR P30968 13/20 0.39
CYP3A4 P08684 2/20 0.39
PKM P14618 1/20 0.37
P2RX7 Q99572 1/20 0.37
PDE7A Q13946 2/20 0.37
PDE4A P27815 1/20 0.37
TAS2R8 Q9NYW2 1/20 0.36
NQO2 P16083 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
SCHEMBL687759 0.90 PKM (0.42) LMNAPKMPDE7APDE4A
SCHEMBL686790 0.87 LMNA (0.42) LMNAGNRHRCYP3A4PKMP2RX7
SCHEMBL687187 0.83 GNRHR (0.43) GNRHRCYP3A4PKM
SCHEMBL687630 0.78 PKM (0.42) CYP3A4PKMP2RX7
SCHEMBL687662 0.77 KDM4E (0.39) LMNACYP3A4PKMP2RX7
SCHEMBL687609 0.77 P2RX7 (0.36) LMNAGNRHRCYP3A4PKMP2RX7
SCHEMBL687570 0.76 P2RX7 (0.35) CYP3A4P2RX7
SCHEMBL687652 0.76 PKM (0.43) CYP3A4PKMP2RX7
SCHEMBL687594 0.76 P2RX7 (0.38) LMNAGNRHRCYP3A4PKMP2RX7
SCHEMBL687549 0.75 ALDH1A1 (0.37) LMNACYP3A4PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US claimed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP claimed
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US disclosed
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP 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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 LMNA 1820/4885GNRHR 4351/4885CYP3A4 1694/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 LMNA 2248/4885GNRHR 4121/4885CYP3A4 2379/4885

“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.