SCHEMBL5559263

SCHEMBL5559263

CCc1nc(C(F)(F)F)c(C(=O)O)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 2/20 0.36
HSP90AA1 P07900 1/20 0.35
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DAO P14920 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GPR35 Q9HC97 1/20 0.33
MAPK14 Q16539 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL9643966 0.87 MAPT (0.38) MAPTALDH1A1HPGDTSHRPOLB
Hydrochloric Acid SCHEMBL28884279 0.85 MAPT (0.37) MAPTALDH1A1HPGDTSHRPOLB
SCHEMBL15313324 0.85 CDK8 (0.37) MAPTALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL27993175 0.85 MAPT (0.37) MAPTALDH1A1TSHRPOLBSMN1; SMN2
SCHEMBL9643821 0.83 ALDH1A1 (0.38) MAPTALDH1A1HPGDTSHRPOLB
SCHEMBL2446926 0.83 MAPT (0.36) MAPTALDH1A1HPGDTSHRPOLB
SCHEMBL9644338 0.82 MAPT (0.37) MAPTALDH1A1HPGDTSHRPOLB
SCHEMBL8507216 0.81 ALDH1A1 (0.51) MAPTALDH1A1HPGDHSP90AA1MEN1
SCHEMBL10822061 0.81 ALDH1A1 (0.35) MAPTALDH1A1HPGDPOLBHSP90AA1
SCHEMBL6137459 0.78 MAPT (0.40) MAPTALDH1A1HPGDTSHRPOLB

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
CN-104163791-A N-pyridine (hetero) aryl amide compound and preparation method and application thereof HUNAN RES INST CHEMICAL IND 2014-11-26 CN disclosed
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 US disclosed
US-5136042-A PROCESS FOR THE PREPARATION OF THIAZOLECARBOXYLIC ACID CHLORIDES MITSUI TOATSU CHEMICALS, INC. (JP) 1992-08-04 US disclosed
EP-0377750-A1 PROCESS FOR PREPARING THIAZOLECARBOXYLIC ACID CHLORIDES MITSUI CHEMICALS, INC. (JP) 1990-07-18 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 (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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 MAPT 2190/4885ALDH1A1 2042/4885HPGD 563/4885

“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.