SCHEMBL687583

SCHEMBL687583

Cc1cc2oc(=O)[nH]c2c(=O)n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MIF P14174 3/20 0.45
CD74 P04233 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
TYMS P04818 1/20 0.43
KMT2A Q03164 1/20 0.43
NOTUM Q6P988 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TLR7 Q9NYK1 2/20 0.41
HPGD P15428 3/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40

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
SCHEMBL686724 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2ALMNAMAPT
SCHEMBL13442631 0.74 MAPK1 (0.49) ALDH1A1MIFCD74SMN1; SMN2MAPK1
SCHEMBL688361 0.73 MAPK14 (0.43) ALDH1A1SMN1; SMN2KMT2ALMNAHPGD
SCHEMBL13442633 0.73 KMT2A (0.51) ALDH1A1MIFCD74SMN1; SMN2MAPK1
SCHEMBL20546173 0.73 NOS1 (0.41) KMT2ALMNAADORA3ADORA2B
SCHEMBL13463107 0.72 NOTUM (0.48) ALDH1A1MIFCD74SMN1; SMN2MAPK1
SCHEMBL13440546 0.71 ALDH1A1 (0.61) ALDH1A1MIFCD74SMN1; SMN2MAPK1
SCHEMBL13463096 0.71 SMN1; SMN2 (0.46) ALDH1A1MIFCD74SMN1; SMN2MAPK1
SCHEMBL4480638 0.70 HPGD (0.66) ALDH1A1SMN1; SMN2MAPK1TYMSKMT2A
SCHEMBL13462976 0.70 LMNA (0.54) ALDH1A1MIFCD74SMN1; SMN2MAPK1

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 ALDH1A1 53/4885MIF 789/4885CD74 339/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 ALDH1A1 57/4885MIF 549/4885CD74 333/4885

“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.