SCHEMBL17595192

SCHEMBL17595192

O=C(O)c1cc(C(F)(F)F)cc(C(=O)O)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.54
TSHR P16473 2/20 0.54
HIF1A Q16665 1/20 0.54
CES2 O00748 1/20 0.46
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 1/20 0.46
IGFBP3 P17936 2/20 0.45
KDM4E B2RXH2 2/20 0.44
ACMSD Q8TDX5 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ASPH Q12797 1/20 0.44
KMO O15229 2/20 0.42
GPR35 Q9HC97 2/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SRD5A2 P31213 1/20 0.41
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41

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
SCHEMBL12097960 0.88 CES2 (0.45) ALOX15TSHRHIF1ACES2RXRA
SCHEMBL19182234 0.88 RXRA (0.58) ALOX15TSHRHIF1ACES2RXRA
SCHEMBL30261774 0.86 JUN (0.42) ALOX15TSHRHIF1ACES2RXRA
SCHEMBL18158113 0.86 SORT1 (0.44) ALOX15TSHRHIF1ACES2RXRA
SCHEMBL3237818 0.86 JUN (0.42) ALOX15TSHRHIF1ACES2RXRA
SCHEMBL25557316 0.83 CES2 (0.41) ALOX15TSHRHIF1ACES2RXRA
SCHEMBL3560093 0.80 MCL1 (0.50) RXRARXRBRXRGIGFBP3KDM4E
SCHEMBL7724748 0.80 CES2 (0.45) CES2RXRARXRBRXRGGPR35
SCHEMBL28475339 0.80 CES2 (0.45) CES2RXRARXRBRXRGGPR35
SCHEMBL2564252 0.78 MRGPRX4 (0.39) ALOX15TSHRHIF1ARXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191451-B1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INST SCIENCE & TECH SCHOOL CORP (JP) 2019-06-05 EP claimed
US-20170217889-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2017-08-03 US claimed
EP-3191451-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME Okinawa Institute of Science and Technology School Corporation (JP) 2017-07-19 EP claimed
WO-2016038890-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2016-03-17 WO claimed
CN-107531693-A Novel 5 or 8-substituted imidazo [1, 5-a ] pyridines as inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 百济神州有限公司 2018-01-02 CN 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-20170217889-A1 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME PDK2, PKD1, PDHA2 ALOX15 1973/4885TSHR 2672/4885HIF1A 253/4885

“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.