Sugi Predict

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SCHEMBL684272

SCHEMBL684272

O=C(O)c1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)o2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.83
▸ STAT3 P40763 1/20 0.64
▸ PSMB8 P28062 6/20 0.62
▸ ALDH1A1 P00352 2/20 0.61
▸ MAPT P10636 2/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ EIF4E P06730 1/20 0.61
▸ EIF4G1 Q04637 1/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ THRB P10828 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ MCL1 Q07820 1/20 0.61
▸ ITGB2 P05107 1/20 0.59
▸ ITGAM P11215 1/20 0.59
▸ PTPN1 P18031 5/20 0.57
▸ ACP1 P24666 4/20 0.57
▸ PTPRF P10586 2/20 0.57

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
SCHEMBL16687571 0.91 ENPP2 (0.82) ENPP2STAT3PSMB8ALDH1A1MAPT
SCHEMBL684546 0.91 ENPP2 (1.00) ENPP2STAT3PSMB8ALDH1A1MAPT
SCHEMBL46211 0.90 STAT3 (0.76) ENPP2STAT3ALDH1A1MAPTNPSR1
SCHEMBL18301010 0.90 STAT3 (0.76) ENPP2STAT3ALDH1A1MAPTNPSR1
SCHEMBL23145046 0.90 STAT3 (0.76) ENPP2STAT3ALDH1A1MAPTNPSR1
SCHEMBL12177362 0.89 MEN1 (0.69) ENPP2ALDH1A1MAPTNPSR1TDP1
SCHEMBL12177765 0.88 ENPP2 (0.78) ENPP2STAT3PSMB8ALDH1A1MAPT
SCHEMBL12177487 0.88 ENPP2 (0.66) ENPP2ALDH1A1MAPTNPSR1TDP1
SCHEMBL12177177 0.87 ENPP2 (0.64) ENPP2ALDH1A1MAPTNPSR1TDP1
SCHEMBL12292497 0.86 ENPP2 (0.69) ENPP2STAT3PSMB8TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227443-A1 SOLID FORMS OF(Z)-4-(5-((3-BENZYL-4-OXO-2-THIOXOTHIAZOLIDIN-5-YLIDENE)METHYL)FURAN-2-YL)BENZOIC ACID ATEGRIN, INC. 2023-07-20 — — US disclosed
US-20230227443-A1 SOLID FORMS OF(Z)-4-(5-((3-BENZYL-4-OXO-2-THIOXOTHIAZOLIDIN-5-YLIDENE)METHYL)FURAN-2-YL)BENZOIC ACID ATEGRIN, INC. 2023-07-20 — — US disclosed
US-20120010255-A1 Compounds and Methods for Regulating Integrins ATEGRIN, INC. 2012-01-12 — — US disclosed
US-20120010255-A1 Compounds and Methods for Regulating Integrins ATEGRIN, INC. 2012-01-12 — — US disclosed
WO-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 — — WO 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-20120010255-A1 Compounds and Methods for Regulating Integrins ITGB8, ITGB3, ITGAM ENPP2 1581/4885STAT3 1106/4885PSMB8 311/4885
US-20230227443-A1 SOLID FORMS OF(Z)-4-(5-((3-BENZYL-4-OXO-2-THIOXOTHIAZOLIDIN-5-YLIDENE)METHYL)FURAN-2-YL)BENZOIC ACID ITGA1, ITGAL, ITGB1 ENPP2 431/4885STAT3 2903/4885PSMB8 3281/4885

“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.