SCHEMBL687341

SCHEMBL687341

O=C(O)C[C@H](NC(=O)Nc1c(O)c2c(n(Cc3ccccc3Cl)c1=O)CCC2)c1cccc(OC(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
HPGD P15428 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DPP4 P27487 1/20 0.35
PTGER3 P43115 4/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
MAPT P10636 1/20 0.34
EGLN3 Q9H6Z9 1/20 0.33
CTSA P10619 2/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33

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
SCHEMBL687949 0.93 KMT2A (0.38) MEN1KMT2AKCNJ5KCNJ3HPGD
SCHEMBL686998 0.93 MEN1 (0.39) MEN1KMT2AKCNJ5KCNJ3HPGD
SCHEMBL687460 0.93 MEN1 (0.40) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL687676 0.93 KMT2A (0.43) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL688189 0.92 MEN1 (0.43) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL688451 0.91 MEN1 (0.40) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL688610 0.91 MEN1 (0.44) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL688605 0.91 MEN1 (0.41) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL687013 0.90 MEN1 (0.43) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL686922 0.90 MEN1 (0.39) MEN1KMT2AHPGDALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US claimed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US claimed
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 MEN1 3955/4885KMT2A 3959/4885KCNJ5 3845/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 MEN1 3985/4885KMT2A 3998/4885KCNJ5 4014/4885

“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.