SCHEMBL899414

SCHEMBL899414

CCOC(=O)CC(O)C(F)(F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 6/20 0.39
TRPA1 O75762 1/20 0.39
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 2/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 2/20 0.36
CHRM1 P11229 1/20 0.36
ADORA1 P30542 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL195939 0.84 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL16190580 0.84 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1532632 0.84 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15286426 0.82 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17275158 0.82 ALDH1A1 (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL19466094 0.82 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL18120819 0.82 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL899233 0.79 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL18854349 0.78 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2458470 0.76 CYP2C19 (0.48) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562834-B2 Process for preparing substituted crotonic acids INTERVET INC. (US) 2020-02-18 US disclosed
US-10562834-B2 Process for preparing substituted crotonic acids INTERVET INC. (US) 2020-02-18 US disclosed
EP-2831042-B1 HETEROARYL COMPOUNDS WITH A-CYCLIC BRIDGING UNIT INTERVET INT BV (NL) 2019-07-31 EP disclosed
US-20190135725-A1 PROCESS FOR PREPARING SUBSTITUTED CROTONIC ACIDS INTERVET INC. (US) 2019-05-09 US disclosed
US-20190135725-A1 PROCESS FOR PREPARING SUBSTITUTED CROTONIC ACIDS INTERVET INC. (US) 2019-05-09 US disclosed
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP disclosed
US-9670208-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-06 US disclosed
US-20170121265-A1 IMPROVED PROCESS FOR PREPARING SUBSTITUTED CROTONIC ACIDS INTERVET INC. (US) 2017-05-04 US disclosed
US-20170121265-A1 IMPROVED PROCESS FOR PREPARING SUBSTITUTED CROTONIC ACIDS INTERVET INC. (US) 2017-05-04 US disclosed
EP-2621923-B1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INT BV (NL) 2017-03-29 EP disclosed
US-6806288-B1 CYCLOOXYGENASE-2 MEDIATED DISORDERS; REDUCES INFLAMMATION; FEWER SIDE EFFECTS G.D. SEARLE & CO. 2004-10-19 US disclosed
US-20040038977-A1 Substituted bezopyran derivatives for the treatment of inflammation G.D. SEARLE & CO. 2004-02-26 US disclosed
EP-0977748-B1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2003-03-26 EP disclosed
US-6492390-B2 TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS. G.D. SEARLE & CO. 2002-12-10 US disclosed
US-20020010206-A1 Substituted benzopyran analogs for the treatment of inflammation G.D. SEARLE & CO. (US) 2002-01-24 US disclosed
EP-1123285-A1 SUBSTITUTED BENZOPYRAN ANALOGS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2001-08-16 EP disclosed
US-6271253-B1 CYCLOOXYGENASE INHIBITORS G.D. SEARLE & CO. 2001-08-07 US disclosed
US-6077850-A USEFUL FOR TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS INFLAMMATION AND INFLAMMATION-RELATED DISORDERS G.D. SEARLE & CO. (US) 2000-06-20 US disclosed
WO-2000023433-A1 SUBSTITUTED BENZOPYRAN ANALOGS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2000-04-27 WO disclosed
US-6034256-A CYCLOOXYGEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-03-07 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 (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-20190135725-A1 PROCESS FOR PREPARING SUBSTITUTED CROTONIC ACIDS CROCC, CMA1, HSD11B1 GAA 1573/4885MGAM 1515/4885SI 194/4885
US-10562834-B2 Process for preparing substituted crotonic acids CROCC, CMA1, HSD11B1 GAA 1573/4885MGAM 1515/4885SI 194/4885
US-20020010206-A1 Substituted benzopyran analogs for the treatment of inflammation PTGS1, IL1R1, PTGES2 GAA 2689/4885MGAM 3917/4885SI 2660/4885
US-20040038977-A1 Substituted bezopyran derivatives for the treatment of inflammation PTGS1, PTGES2, IL1R1 GAA 1698/4885MGAM 2870/4885SI 2349/4885
US-20170121265-A1 IMPROVED PROCESS FOR PREPARING SUBSTITUTED CROTONIC ACIDS CROCC, CMA1, HSD11B1 GAA 1399/4885MGAM 1626/4885SI 242/4885

“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.