SCHEMBL2977141

SCHEMBL2977141

CCc1cc(C(C)(C)C)c(O)cc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.52
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
ATP2A2 P16615 1/20 0.52
ATP2A3 Q93084 1/20 0.52
HSPA5 P11021 2/20 0.41
TP53 P04637 3/20 0.40
LMNA P02545 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.40
NR1I2 O75469 1/20 0.39
MIF P14174 1/20 0.39
TYR P14679 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL30301220 0.82 AR (0.42) ALOX15ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL8670928 0.82 ALDH1A1 (0.65) ALOX15ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL167353 0.82 AR (0.42) ALOX15ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL16688135 0.78 ALOX15 (0.54) ALOX15ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2788258 0.78 ALOX15 (0.58) ALOX15ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL29808669 0.78 ALOX15 (0.58) ALOX15ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL29550866 0.77 ALDH1A1 (0.64) ALOX15ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL396873 0.77 ALDH1A1 (0.64) ALOX15ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL16117679 0.77 ALOX15 (0.52) ALOX15ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL10715730 0.76 ALOX15 (0.50) ALOX15ALDH1A1SMN1; SMN2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-20 US disclosed
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-20 US disclosed
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-20 US disclosed
US-8802700-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US disclosed
US-8802700-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US disclosed
US-8802700-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US disclosed
US-8614327-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-24 US disclosed
US-20130165442-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-27 US disclosed
US-20130165442-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-27 US disclosed
US-20130165442-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-27 US disclosed
US-8354427-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-01-15 US disclosed
US-8354427-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-01-15 US disclosed
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
CN-102652128-A 4-Oxo-1H-quinoline-3-carboxamides as modulators of ATP-binding cassette transporters VERTEX PHARMA 2012-08-29 CN disclosed
WO-2011072241-A9 4-OXO-1H-QUINOLINE-3-CARBOXAMIDES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 WO disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 US disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 US disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 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 (4 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-20130165442-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 ALOX15 3173/4885ALDH1A1 2165/4885SMN1; SMN2 4837/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 ALOX15 3173/4885ALDH1A1 2165/4885SMN1; SMN2 4837/4885
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALOX15 3173/4885ALDH1A1 2165/4885SMN1; SMN2 4837/4885
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALOX15 3173/4885ALDH1A1 2165/4885SMN1; SMN2 4837/4885

“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.