Sugi Predict

Sugi Predict / Compounds / SCHEMBL6925102

SCHEMBL6925102

SCHEMBL6925102

CCC(=O)c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 3/20 0.47
▸ DDR1 Q08345 1/20 0.43
▸ VNN1 O95497 5/20 0.43
▸ NOTUM Q6P988 1/20 0.42
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ TRPA1 O75762 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ S1PR2 O95136 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ CES1 P23141 1/20 0.38

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
SCHEMBL5898589 0.89 CES2 (0.59) CES2NOTUMRXRARXRBRXRG
SCHEMBL634159 0.82 CES2 (0.54) CES2PPARGPPARAALDH1A1CES1
SCHEMBL865889 0.82 PTPN1 (0.58) CES2DDR1VNN1NOTUMRXRA
SCHEMBL27856961 0.82 NOTUM (0.63) CES2DDR1NOTUMRXRARXRB
SCHEMBL27873685 0.81 DDR1 (0.48) CES2DDR1NOTUMPPARGPPARA
SCHEMBL27681209 0.81 CES2 (0.46) CES2NOTUMRXRARXRBRXRG
Hydrochloric Acid SCHEMBL15732661 0.81 CES2 (0.46) CES2DDR1VNN1NOTUMRXRA
SCHEMBL16960223 0.80 DDR1 (0.41) CES2DDR1VNN1NOTUMRXRA
SCHEMBL16952391 0.80 VNN1 (0.40) CES2DDR1VNN1NOTUMRXRA
SCHEMBL1198922 0.79 CES2 (0.52) CES2DDR1VNN1NOTUMRXRA

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
CN-106573928-A 2-aminothiazole derivative or salt thereof 安斯泰来制药株式会社 2017-04-19 — — CN disclosed
CN-106414438-A 2-acylaminothiazole derivative or salt thereof 安斯泰来制药株式会社 2017-02-15 — — CN disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-20130177529-A1 Pyrazole Compounds VIVOQUEST, INC. 2013-07-11 — — US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 — — US disclosed
CN-101977908-A (pyrazolyl carbonyl) imidazolidinone derivatives for the treatment of retroviral diseases AICURIS GMBH & CO KG 2011-02-16 — — CN disclosed
US-6562840-B1 Non-peptidic inhibitors of proteolytic enzymes such as urokinase 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-05-13 — — US disclosed
US-6515002-B2 4-(4-(1-phenyl-5-propylpyrazol4-yl)(1,3-thiazol-2-yl))-5 -methylthiothiophene-2-carboxamidine, for example; complement inhibitors; treating tissue damage, inflammation, or autoimmune diseases 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-04 — — US disclosed
US-6492403-B1 TREATING SYMPTOMS OF ACUTE OR CHRONIC DISORDER MEDIATED BY CLASSICAL PATHWAY OF COMPLEMENT CASCADE; PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-12-10 — — US disclosed
US-6403633-B2 USEFUL ANTIANGIOGENIC, ANTIARTHRITIC, ANTIINFLAMMATORY, ANTIRESTENOTIC, ANTIINVASIVE, ANTIMETASTIC, ANTIOSTEOPOROTIC, ANTIRETINOPATHIC, CONTRACEPTIVE AND TUMORISTATIC TREATMENT AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-06-11 — — US disclosed
US-20020037915-A1 Compounds and compositons for treating C1s-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-03-28 — — US disclosed
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 — — EP disclosed
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors ILLIG CARL R (US) 2001-10-18 — — US disclosed
US-6291514-B1 Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-18 — — US disclosed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 — — WO disclosed
CN-1176101-A N -(4 -aryl -thiazol -2 -yl) -sulphonamide derivatives and their use HOFFMANN LA ROCHE (CH) 1998-03-18 — — 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 CES2 1649/4885DDR1 3843/4885VNN1 2890/4885
US-20020037915-A1 Compounds and compositons for treating C1s-mediated diseases and conditions C1S, C1R, C9 CES2 2303/4885DDR1 4445/4885VNN1 3237/4885
US-20130177529-A1 Pyrazole Compounds MAVS, EIF2AK2, ZC3HAV1 CES2 865/4885DDR1 4604/4885VNN1 3716/4885
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors SERPINE1, PRSS3, PRSS2 CES2 2454/4885DDR1 1759/4885VNN1 1943/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 CES2 1649/4885DDR1 3843/4885VNN1 2890/4885

“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.