SCHEMBL16585409

SCHEMBL16585409

COc1cccc(F)c1C=CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 2/20 0.56
ABCG2 Q9UNQ0 2/20 0.55
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 4/20 0.52
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
BCHE P06276 1/20 0.47
GAA P10253 1/20 0.46
PKM P14618 2/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45

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
SCHEMBL16585405 1.00 KRAS (0.56) KRASABCG2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL16265418 0.88 ABCG2 (0.69) ABCG2ALDH1A1SMN1; SMN2KDM4ECYP1A1
SCHEMBL16265416 0.88 ABCG2 (0.69) ABCG2ALDH1A1SMN1; SMN2KDM4ECYP1A1
SCHEMBL29090928 0.87 KDM4E (0.57) KRASABCG2SMN1; SMN2KDM4ECYP1A1
SCHEMBL9907019 0.85 KRAS (0.54) KRASABCG2CYP1A1CYP1A2CYP2D6
SCHEMBL16585551 0.83 KRAS (0.52) KRASABCG2SMN1; SMN2KDM4ECYP1A1
SCHEMBL16585553 0.83 KRAS (0.52) KRASABCG2SMN1; SMN2KDM4ECYP1A1
SCHEMBL1226435 0.82 ABCG2 (0.58) KRASABCG2ALDH1A1SMN1; SMN2HPGD
SCHEMBL1226433 0.82 ABCG2 (0.58) KRASABCG2ALDH1A1SMN1; SMN2HPGD
SCHEMBL31501089 0.82 BACE1 (0.59) ABCG2ALDH1A1SMN1; SMN2KDM4ECYP1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738642-B2 Triazolopyridine ether derivatives and their use in neurological and pyschiatric disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2016-08-18 US disclosed
EP-3046922-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS Bristol-Myers Squibb Company (US) 2016-07-27 EP disclosed
WO-2015042243-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-26 WO 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 (1 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-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS GRM2, GRIK2, GRIA2 KRAS 1583/4885ABCG2 2315/4885ALDH1A1 4004/4885

“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.