SCHEMBL686989

SCHEMBL686989

CCOc1cccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c(C)cn(Cc3c(Cl)cccc3OCC)c2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FFAR1 O14842 2/20 0.36
ITGB1 P05556 2/20 0.34
ITGA4 P13612 2/20 0.34
PTGER3 P43115 2/20 0.34
KMT2A Q03164 2/20 0.33
PPARG P37231 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CTSA P10619 2/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
POLB P06746 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
SCHEMBL688507 0.96 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EALDH1A1FFAR1ITGB1
SCHEMBL687688 0.96 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EALDH1A1FFAR1PTGER3
SCHEMBL688501 0.96 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EALDH1A1FFAR1PTGER3
SCHEMBL688946 0.95 SMN1; SMN2 (0.34) SMN1; SMN2KDM4EALDH1A1FFAR1ITGB1
SCHEMBL686996 0.95 P2RX3 (0.35) SMN1; SMN2KDM4EALDH1A1FFAR1ITGB1
SCHEMBL687119 0.95 SMN1; SMN2 (0.36) SMN1; SMN2KDM4EALDH1A1FFAR1ITGB1
SCHEMBL687907 0.94 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EALDH1A1FFAR1ITGB1
SCHEMBL687970 0.94 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALDH1A1FFAR1PTGER3
SCHEMBL27741947 0.94 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EALDH1A1FFAR1PTGER3
SCHEMBL693144 0.94 KDM4E (0.37) SMN1; SMN2KDM4EALDH1A1FFAR1ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 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-3615087-B1 TARGETING NANOPARTICLES Texas Childrens Hospital (US) 2023-09-06 EP disclosed
US-11312685-B2 Targeting nanoparticles TEXAS HEART INSTITUTE (US) 2022-04-26 US disclosed
US-20210393811-A1 Imaging Agents and Methods of Use TEXAS HEART INSTITUTE 2021-12-23 US disclosed
US-20210188774-A1 Targeting Nanoparticles TEXAS CHILDREN'S HOSPITAL 2021-06-24 US disclosed
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
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-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US 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 (5 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-20210188774-A1 Targeting Nanoparticles PHOSPHO1, CD47, ITGB3 SMN1; SMN2 1093/4885KDM4E 1682/4885ALDH1A1 2701/4885
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 SMN1; SMN2 2958/4885KDM4E 2631/4885ALDH1A1 53/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 SMN1; SMN2 2960/4885KDM4E 3292/4885ALDH1A1 57/4885
US-11312685-B2 Targeting nanoparticles PHOSPHO1, CD47, ITGB3 SMN1; SMN2 1093/4885KDM4E 1682/4885ALDH1A1 2701/4885
US-20210393811-A1 Imaging Agents and Methods of Use ITGA1, ITGA4, CD47 SMN1; SMN2 1183/4885KDM4E 1047/4885ALDH1A1 183/4885

“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.