SCHEMBL687630

SCHEMBL687630

Cc1cn(Cc2c(Cl)cccc2Cl)c(=O)c2[nH]c(=O)oc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.42
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 6/20 0.42
HPGD P15428 5/20 0.42
NPSR1 Q6W5P4 3/20 0.42
POLB P06746 1/20 0.40
SLC22A12 Q96S37 2/20 0.40
GAA P10253 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
P2RX7 Q99572 1/20 0.39
ACP1 P24666 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL687652 0.95 PKM (0.43) PKMALDH1A1KDM4EHPGDNPSR1
SCHEMBL686790 0.90 LMNA (0.42) PKMALDH1A1KDM4EHPGDNPSR1
SCHEMBL30155021 0.89 PKM (0.37) PKMALDH1A1KDM4EHPGDNPSR1
SCHEMBL687662 0.88 KDM4E (0.39) PKMALDH1A1KDM4EHPGDNPSR1
SCHEMBL687609 0.88 P2RX7 (0.36) PKMALDH1A1KDM4EHPGDNPSR1
SCHEMBL30155068 0.88 KDM4E (0.39) PKMALDH1A1KDM4EHPGDNPSR1
SCHEMBL687901 0.86 MAPK1 (0.44) ALDH1A1KDM4ESLC22A12GAAP2RX7
SCHEMBL687549 0.86 ALDH1A1 (0.37) PKMALDH1A1KDM4EHPGDNPSR1
SCHEMBL687181 0.85 PKM (0.34) PKMALDH1A1KDM4EHPGDNPSR1
SCHEMBL687759 0.85 PKM (0.42) PKMSLC22A12

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 PKM 3429/4885ALDH1A1 53/4885KDM4E 2631/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 PKM 3321/4885ALDH1A1 57/4885KDM4E 3292/4885

“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.