Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2043009

CC(N)c1nc2ccc(Cl)cn2c1-c1cccc(F)c1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 6/20 0.44
TRPA1 O75762 4/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35

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
SCHEMBL12629375 0.91 TRPA1 (0.44) TRPA1KDM4EHPGDSMN1; SMN2PIK3CD
SCHEMBL2034986 0.80 TRPA1 (0.41) ATMTRPA1KDM4EHPGDSMN1; SMN2
Trifluoroacetic Acid SCHEMBL2017034 0.80 PIK3CD (0.48) PIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL12357166 0.79 MDM2 (0.45) TRPA1KDM4EHPGDSMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL2040122 0.78 MDM2 (0.44) TRPA1KDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL2043010 0.76 TRPA1 (0.38) ATMTRPA1KDM4EHPGDSMN1; SMN2
SCHEMBL12357171 0.76 SLC2A1 (0.41) TRPA1KDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL2018019 0.74 PIK3CD (0.45) KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL2017634 0.73 CYP1A2 (0.55) TRPA1KDM4EHPGDCYP1A2CYP2C9
SCHEMBL2504442 0.72 PIK3CD (0.55) PIK3CDPIK3R1PIK3CBPIK3CG

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
US-9403847-B2 Substituted heteroaryl fused derivatives as P13K inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-08-02 US disclosed
US-20140275127-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2014-09-18 US disclosed
US-8759359-B2 Substituted heteroaryl fused derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-06-24 US disclosed
US-20110190319-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-08-04 US disclosed
WO-2011075643-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 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 (2 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-20110190319-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3R5 ATM 497/4885TRPA1 4725/4885KDM4E 1889/4885
US-20140275127-A1 SUBSTITUTED HETEROARYL FUSED DERIVATIVES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3R5 ATM 497/4885TRPA1 4725/4885KDM4E 1889/4885

“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.