Sugi Predict

Sugi Predict / Compounds / SCHEMBL684546

SCHEMBL684546

SCHEMBL684546

O=C(O)c1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 1.00
▸ STAT3 P40763 1/20 0.61
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ MAPT P10636 3/20 0.56
▸ PKM P14618 2/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ APEX1 P27695 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ CRHBP P24387 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56

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
SCHEMBL684272 0.91 ENPP2 (0.83) ENPP2STAT3MEN1KMT2AALDH1A1
SCHEMBL20339641 0.90 ENPP2 (0.82) ENPP2STAT3MEN1KMT2AALDH1A1
SCHEMBL20339643 0.90 ENPP2 (0.82) ENPP2STAT3MEN1KMT2AALDH1A1
SCHEMBL16687571 0.90 ENPP2 (0.82) ENPP2STAT3MEN1KMT2AALDH1A1
SCHEMBL16644157 0.88 ENPP2 (0.78) ENPP2MEN1KMT2AALDH1A1MAPT
SCHEMBL12177765 0.88 ENPP2 (0.78) ENPP2STAT3MEN1KMT2AALDH1A1
SCHEMBL46215 0.86 ENPP2 (0.75) ENPP2MEN1KMT2AALDH1A1MAPT
SCHEMBL5146767 0.83 STAT3 (0.80) ENPP2STAT3MEN1KMT2AALDH1A1
SCHEMBL5146772 0.83 STAT3 (0.80) ENPP2STAT3MEN1KMT2AALDH1A1
SCHEMBL12177763 0.82 ENPP2 (0.69) ENPP2STAT3MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180560-B2 Compositions and methods to treat solid tumors WAYNE STATE UNIVERSITY (US) 2021-11-23 — — US disclosed
EP-3243821-B1 PHARMACEUTICAL FORMULATIONS FOR REGULATING INTEGRIN CD11B/CD18 GB006 INC (US) 2020-02-26 — — EP disclosed
US-20190309073-A1 COMPOSITIONS AND METHODS TO TREAT SOLID TUMORS WAYNE STATE UNIVERSITY (US) 2019-10-10 — — US disclosed
EP-2838614-B1 COMPOSITIONS FOR REGULATING INTEGRINS GB006 INC (US) 2019-09-11 — — EP disclosed
US-10336827-B2 Compositions and methods to treat solid tumors WAYNE STATE UNIVERSITY (US) 2019-07-02 — — US disclosed
US-10239871-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2019-03-26 — — US disclosed
US-20170121410-A1 COMPOSITIONS AND METHODS TO TREAT SOLID TUMORS WAYNE STATE UNIVERSITY (US) 2017-05-04 — — US disclosed
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2016-06-02 — — US disclosed
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2016-06-02 — — US disclosed
US-9328105-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2016-05-03 — — US disclosed
US-9328105-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2016-05-03 — — US disclosed
US-9023876-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2015-05-05 — — US disclosed
US-9023876-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2015-05-05 — — US disclosed
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2015-04-16 — — US disclosed
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2015-04-16 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-10239871-B2 Compounds and methods for regulating integrins ITGA2, ITGB2, ITGA2B ENPP2 107/4885STAT3 131/4885MEN1 2635/4885
US-20170121410-A1 COMPOSITIONS AND METHODS TO TREAT SOLID TUMORS ITGB8, MMP8, FUT8 ENPP2 927/4885STAT3 1679/4885MEN1 3438/4885
US-20120010255-A1 Compounds and Methods for Regulating Integrins ITGB8, ITGB3, ITGAM ENPP2 1581/4885STAT3 1106/4885MEN1 1586/4885
US-20190309073-A1 COMPOSITIONS AND METHODS TO TREAT SOLID TUMORS ITGB8, MMP8, ITGA8 ENPP2 1042/4885STAT3 1734/4885MEN1 3142/4885
US-10336827-B2 Compositions and methods to treat solid tumors ITGB8, MMP8, ITGA8 ENPP2 1042/4885STAT3 1734/4885MEN1 3142/4885
US-11180560-B2 Compositions and methods to treat solid tumors ITGB8, MMP8, ITGA8 ENPP2 1042/4885STAT3 1734/4885MEN1 3142/4885
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B ENPP2 107/4885STAT3 131/4885MEN1 2635/4885
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B ENPP2 107/4885STAT3 131/4885MEN1 2635/4885

“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.