SCHEMBL687338

SCHEMBL687338

CC(C)c1cn(Cc2ccccc2Cl)c(=O)c2[nH]c(=O)oc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP2 O95551 1/20 0.43
NSD2 O96028 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
BRD4 O60885 1/20 0.38
PTGER3 P43115 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.35
NPBWR1 P48145 1/20 0.35
P2RX7 Q99572 1/20 0.35

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
SCHEMBL687901 0.86 MAPK1 (0.44) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL686662 0.85 PTGER3 (0.41) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL687494 0.82 ALDH1A1 (0.39) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL686709 0.80 ALDH1A1 (0.38) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL687777 0.79 ALDH1A1 (0.38) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL686829 0.79 MEN1 (0.39) KMT2AALDH1A1MEN1KDM4EBRD4
SCHEMBL687519 0.76 ALDH1A1 (0.45) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL687409 0.73 KMT2A (0.44) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL687137 0.73 ADORA2B (0.38) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL687630 0.72 PKM (0.42) ALDH1A1MAPTKDM4EGAASMN1; 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 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 KMT2A 3959/4885ALDH1A1 53/4885MEN1 3955/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 KMT2A 3998/4885ALDH1A1 57/4885MEN1 3985/4885

“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.