Sugi Predict

Sugi Predict / Compounds / SCHEMBL2964558

SCHEMBL2964558

SCHEMBL2964558

COC(=O)c1cc(Cl)c(C(=O)O)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ CA12 O43570 3/20 0.50
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA7 P43166 3/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ CA14 Q9ULX7 3/20 0.50
▸ TPMT P51580 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.48
▸ XDH P47989 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48

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
SCHEMBL522606 0.88 CA1 (0.54) KDM4EALDH1A1CA12CA1CA2
SCHEMBL14060625 0.84 CA12 (0.50) KDM4EALDH1A1CA12CA1CA2
SCHEMBL25917115 0.84 CA12 (0.50) KDM4EALDH1A1CA12CA1CA2
SCHEMBL1706757 0.84 TPMT (0.53) KDM4EALDH1A1CA12CA1CA2
SCHEMBL2900847 0.82 MAPT (0.49) KDM4EALDH1A1TPMTLMNAPOLB
SCHEMBL8336066 0.81 CA1 (0.56) KDM4EALDH1A1CA12CA1CA2
SCHEMBL793325 0.79 KDM4E (0.48) KDM4EALDH1A1CA12CA1CA2
SCHEMBL27214470 0.79 ALDH1A1 (0.46) KDM4EALDH1A1CA12CA1CA2
SCHEMBL8379866 0.79 CA12 (0.46) KDM4EALDH1A1CA12CA1CA2
SCHEMBL2903192 0.79 KDM4E (0.50) KDM4EALDH1A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250381168-A1 VLA4 INHIBITORS AND USES THEREOF WASHINGTON UNIVERSITY ST LOUIS (US) 2025-12-18 — — US disclosed
WO-2023250339-A2 VLA4 INHIBITORS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2023-12-28 — — WO disclosed
US-20190328706-A1 COMPOSITIONS COMPRISING AN INTEGRIN INHIBITOR AND AGENTS WHICH INTERACT WITH A CHEMOKINE AND METHODS OF USE THEREOF SAINT LOUIS UNIVERSITY 2019-10-31 — — US disclosed
US-20190328706-A1 COMPOSITIONS COMPRISING AN INTEGRIN INHIBITOR AND AGENTS WHICH INTERACT WITH A CHEMOKINE AND METHODS OF USE THEREOF SAINT LOUIS UNIVERSITY 2019-10-31 — — US disclosed
US-9364466-B2 Heterocyclic compounds as protein kinase inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-06-14 — — US disclosed
EP-2714688-B1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO CO LTD (JP) 2016-02-24 — — EP disclosed
US-20150157613-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-06-11 — — US disclosed
US-8980911-B2 Heterocyclic compounds as protein kinase inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-03-17 — — US disclosed
CN-104341316-A Diarylamide type derivatives, preparing method thereof, pharmaceutical compositions of the derivatives and uses of the derivatives SHANGHAI INST MATERIA MEDICA 2015-02-11 — — CN disclosed
US-20140155398-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-06-05 — — US disclosed
WO-2012160464-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-29 — — WO disclosed
WO-2012161354-A2 AGRICULTURAL OR HORTICULTURAL FUNGICIDE COMPOSITION AND METHOD FOR CONTROLLING PLANT PATHOGEN ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-11-29 — — WO disclosed
US-7759388-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2010-07-20 — — US disclosed
US-20090048236-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO. INC (JP) 2009-02-19 — — US disclosed
US-7452905-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2008-11-18 — — US disclosed
EP-1323711-B1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO KK (JP) 2006-11-15 — — EP disclosed
US-20030220318-A1 New phenylalanine derivatives AJINOMOTO CO. INC (JP) 2003-11-27 — — US disclosed
EP-1323711-A1 NOVEL PHENYLALANINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2003-07-02 — — 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 (6 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-20030220318-A1 New phenylalanine derivatives VCAM1, PAH, ICAM1 KDM4E 1435/4885ALDH1A1 2197/4885CA12 4675/4885
US-20090048236-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, VCAM1, ITGA4 KDM4E 526/4885ALDH1A1 1647/4885CA12 4555/4885
US-20190328706-A1 COMPOSITIONS COMPRISING AN INTEGRIN INHIBITOR AND AGENTS WHICH INTERACT WITH A CHEMOKINE AND METHODS OF USE THEREOF CXCL12, CXCR4, SDF4 KDM4E 3878/4885ALDH1A1 539/4885CA12 2961/4885
US-20150157613-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS MAP3K1, JAK2, AKT1 KDM4E 1629/4885ALDH1A1 1005/4885CA12 2966/4885
US-20140155398-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS MAP3K1, JAK2, AKT1 KDM4E 1629/4885ALDH1A1 1005/4885CA12 2966/4885
US-20250381168-A1 VLA4 INHIBITORS AND USES THEREOF CXCR4, SDF4, ITGB4 KDM4E 1797/4885ALDH1A1 523/4885CA12 2667/4885

“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.