SCHEMBL397079

SCHEMBL397079

CC(C)c1ccc(N)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
HIF1A Q16665 1/20 0.47
FFAR4 Q5NUL3 9/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
FFAR1 O14842 3/20 0.37
AR P10275 1/20 0.37
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.36
SCN4A P35499 1/20 0.36
RAB9A P51151 1/20 0.36
PDK2 Q15119 1/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
ADRB2 P07550 1/20 0.36

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
SCHEMBL30868019 1.00 GAA (0.47) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL9861391 0.85 HIF1A (0.44) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL5958706 0.85 HIF1A (0.44) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL24987718 0.84 GAA (0.52) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL4436106 0.83 FFAR4 (0.36) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL13304198 0.81 LMNA (0.40) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL10265137 0.80 AKR1C3 (0.38) FFAR4SMN1; SMN2FFAR1ARAKR1C3
SCHEMBL22326115 0.80 ESR1 (0.43) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL28262586 0.79 AKR1C3 (0.40) GAAALDH1A1FFAR4SMN1; SMN2FFAR1
SCHEMBL10030654 0.79 GLA (0.48) GAAGLAPOLBTSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
EP-3041842-B1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS INC (US) 2019-10-23 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 US disclosed
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-05 US disclosed
US-20150293078-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2015-10-15 US disclosed
US-6750236-B2 CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2004-06-15 US disclosed
WO-2004041256-A2 SAFE CHEMICAL UNCOUPLERS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-05-21 WO disclosed
US-20030187041-A1 Propionic acid derivatives URBAHNS KLAUS (DE) 2003-10-02 US disclosed
EP-1328508-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES Bayer Aktiengesellschaft (DE) 2003-07-23 EP disclosed
US-6548538-B2 Potent peroxisome proliferator activated receptor (PPAR)-alpha-activating compounds; propionic acid 2-subsituted with an N-(phenylaminocarbonylalkyl), N-(2-furanylmethyl)aminoalkylphenyl group BAYER AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed
US-20030032671-A1 Propionic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-02-13 US disclosed
WO-2002028821-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2002-04-11 WO disclosed
US-4749813-A 4-alkyl-2-trifluoromethylanilines BAYER AKTIENGESELLSCHAFT (DE) 1988-06-07 US disclosed
EP-0084320-B1 4-ALKYL-2-TRIFLUOROMETHYL ANILINES BAYER AG (DE) 1985-08-28 EP disclosed
EP-0084320-A2 4-Alkyl-2-trifluoromethyl anilines BAYER AG (DE) 1983-07-27 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-20030187041-A1 Propionic acid derivatives PPARA, PPARD, PPARG GAA 1063/4885ALDH1A1 257/4885ALOX12 663/4885
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GAA 454/4885ALDH1A1 2165/4885ALOX12 2887/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG GAA 1680/4885ALDH1A1 550/4885ALOX12 955/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 GAA 454/4885ALDH1A1 2165/4885ALOX12 2887/4885
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GAA 454/4885ALDH1A1 2165/4885ALOX12 2887/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GAA 454/4885ALDH1A1 2165/4885ALOX12 2887/4885

“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.