Sugi Predict

Sugi Predict / Compounds / SCHEMBL266479

SCHEMBL266479

SCHEMBL266479

CC(Cc1ccncc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 2/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ LMNA P02545 4/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CYP19A1 P11511 2/20 0.45
▸ CYP2C9 P11712 3/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAOB P27338 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ PTGS1 P23219 3/20 0.43
▸ PTGS2 P35354 3/20 0.43
▸ AKR1C3 P42330 2/20 0.43
▸ CXCR1 P25024 2/20 0.43
▸ CXCR2 P25025 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ALB P02768 1/20 0.43
▸ ESR1 P03372 1/20 0.43

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
SCHEMBL12939671 1.00 TBXAS1 (0.59) TBXAS1CYP3A4ALDH1A1LMNAMAPT
SCHEMBL11237591 0.85 TBXAS1 (0.59) TBXAS1CYP3A4LMNACYP2C9CYP1A2
SCHEMBL26167656 0.84 CYP3A4 (0.55) TBXAS1CYP3A4ALDH1A1LMNAMAPT
SCHEMBL14276781 0.84 CYP3A4 (0.55) TBXAS1CYP3A4ALDH1A1LMNAMAPT
SCHEMBL1286079 0.82 CYP3A4 (0.54) TBXAS1CYP3A4ALDH1A1LMNAMAPT
SCHEMBL7973325 0.82 CYP3A4 (0.54) TBXAS1CYP3A4ALDH1A1LMNAMAPT
SCHEMBL65930 0.81 CYP1A2 (0.61) TBXAS1CYP3A4MAPK1CYP1A2PTGS1
SCHEMBL265577 0.81 CYP1A2 (0.61) TBXAS1CYP3A4MAPK1CYP1A2PTGS1
SCHEMBL3088047 0.81 LDHA (0.52) CYP3A4ALDH1A1CYP19A1CYP2C9CYP1A2
SCHEMBL265135 0.81 CYP1A2 (0.61) TBXAS1CYP3A4MAPK1CYP1A2PTGS1

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 — — US disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 — — US disclosed
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-10-01 — — US disclosed
US-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 — — US disclosed
CN-102834380-B Inhibitors of protein kinases ASTRAZENECA 2015-04-01 — — CN disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 — — US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 — — US disclosed
US-20130345233-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-26 — — US disclosed
US-8518948-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-27 — — US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 — — US disclosed
US-7098226-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-08-29 — — US disclosed
EP-1568692-A1 (pyridin-4-yl)alkyl-amides as TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 — — EP disclosed
CN-1590375-A TNF-alpha prodn. inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2005-03-09 — — CN disclosed
CN-1590374-A TNF-alpha prodn. inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2005-03-09 — — CN disclosed
US-20050014800-A1 Angiogenesis inhibitor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 — — US disclosed
EP-1457205-A1 ANGIOGENESIS INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-09-15 — — EP disclosed
CN-1432000-A TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2003-07-23 — — CN disclosed
EP-1302461-A1 TNF-ALPHA PRODUCTION INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2003-04-16 — — EP disclosed
US-20030032623-A1 Tnf-alpha production inhibitors AYUMI PHARMACEUTICAL CORPORATION (JP) 2003-02-13 — — US disclosed
CN-1027504-C Process for the preparation of imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORP (US) 1995-01-25 — — CN 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP TBXAS1 4626/4885CYP3A4 2439/4885ALDH1A1 3562/4885
US-20130345233-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 TBXAS1 793/4885CYP3A4 3737/4885ALDH1A1 2914/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 TBXAS1 793/4885CYP3A4 3737/4885ALDH1A1 2914/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 TBXAS1 657/4885CYP3A4 852/4885ALDH1A1 1011/4885
US-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 TBXAS1 485/4885CYP3A4 425/4885ALDH1A1 556/4885

“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.