SCHEMBL2298403

SCHEMBL2298403

COc1ccc(-n2ncc(C(=O)O)c2C(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
POLB P06746 1/20 0.70
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
ATM Q13315 1/20 0.64
PTPN1 P18031 1/20 0.54
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPK14 Q16539 1/20 0.52
KEAP1 Q14145 5/20 0.50
NFE2L2 Q16236 5/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
HSD11B1 P28845 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL2856196 0.86 MAPT (0.70) MAPTSMN1; SMN2POLBNPC1RAB9A
SCHEMBL10367050 0.86 ALDH1A1 (0.55) MAPTSMN1; SMN2POLBNPC1RAB9A
SCHEMBL10365412 0.86 MAPT (0.51) MAPTSMN1; SMN2POLBNPC1RAB9A
SCHEMBL22829053 0.85 RAB9A (0.60) MAPTSMN1; SMN2POLBNPC1RAB9A
SCHEMBL2300568 0.85 MAPT (0.76) MAPTSMN1; SMN2POLBNPC1RAB9A
SCHEMBL10364568 0.84 MAPT (0.49) MAPTSMN1; SMN2POLBNPC1RAB9A
SCHEMBL2856953 0.84 ALDH1A1 (0.53) MAPTSMN1; SMN2POLBNPC1RAB9A
SCHEMBL2722465 0.84 TRPC1 (0.64) MAPTSMN1; SMN2POLBNPC1RAB9A
SCHEMBL27171677 0.83 RAB9A (0.57) MAPTSMN1; SMN2POLBNPC1RAB9A
SCHEMBL30861247 0.83 RAB9A (0.57) MAPTSMN1; SMN2POLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
US-12077507-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-09-03 US disclosed
US-20240109845-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-04-04 US disclosed
EP-3555077-B1 COMPOSITIONS AND METHODS FOR TREATING CANCER UNIV CALIFORNIA (US) 2023-04-19 EP disclosed
US-11136297-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-05 US disclosed
US-11136297-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-05 US disclosed
US-20200131135-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-04-30 US disclosed
US-20200131135-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-04-30 US disclosed
EP-3555077-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER The Regents of The University of California (US) 2019-10-23 EP disclosed
WO-2018112420-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-06-21 WO disclosed
EP-2462139-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP disclosed
EP-2462139-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP disclosed
US-8399451-B2 Heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-19 US disclosed
US-8399451-B2 Heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-19 US disclosed
US-20110190255-A1 HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
US-20110190255-A1 HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
WO-2011017578-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-10 WO disclosed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 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 (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-20200131135-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HRAS, KRAS, NRAS MAPT 4236/4885SMN1; SMN2 3273/4885POLB 2228/4885
US-11136297-B2 Compositions and methods for treating cancer HRAS, KRAS, NRAS MAPT 4236/4885SMN1; SMN2 3273/4885POLB 2228/4885
US-20110190255-A1 HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, S1PR5 MAPT 4760/4885SMN1; SMN2 1771/4885POLB 3979/4885
US-20240109845-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HRAS, KRAS, NRAS MAPT 4236/4885SMN1; SMN2 3273/4885POLB 2228/4885
US-12077507-B2 Compositions and methods for treating cancer HRAS, KRAS, NRAS MAPT 4236/4885SMN1; SMN2 3273/4885POLB 2228/4885

“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.