Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6252973

N#Cc1c(N)nc2c(c1-c1ccco1)CCc1cn[nH]c1-2.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 8/20 0.47
ALDH1A1 P00352 7/20 0.45
HPGD P15428 6/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
CASP1 P29466 3/20 0.45
BLM P54132 1/20 0.45
KDM4E B2RXH2 9/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 5/20 0.43
ADORA1 P30542 8/20 0.42
ADORA3 P0DMS8 3/20 0.42
GLA P06280 1/20 0.42
ADORA2A P29274 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TSHR P16473 2/20 0.39

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
SCHEMBL6250862 0.91 HSD17B10 (0.55) HSD17B10ALDH1A1HPGDMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6253886 0.86 HSD17B10 (0.47) HSD17B10ALDH1A1HPGDMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6251457 0.84 HSD17B10 (0.48) HSD17B10ALDH1A1HPGDMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6255163 0.82 KDM4E (0.49) HSD17B10ALDH1A1HPGDMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6254265 0.81 KDM4E (0.49) HSD17B10ALDH1A1HPGDMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6254195 0.80 ADORA1 (0.50) HSD17B10ALDH1A1HPGDMEN1KMT2A
SCHEMBL6255229 0.75 HSD17B10 (0.55) HSD17B10ALDH1A1HPGDMEN1KMT2A
SCHEMBL6252971 0.75 HSD17B10 (0.45) HSD17B10ALDH1A1HPGDMEN1KMT2A
SCHEMBL6250193 0.74 HSD17B10 (0.56) HSD17B10ALDH1A1HPGDMEN1KMT2A
SCHEMBL6254268 0.74 EGFR (0.51) HSD17B10ALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569645-A2 METHOD OF USING AMINOCYANOPYRIDINE COMPOUNDS AS MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS Pharmacia Corporation (US) 2005-09-07 EP disclosed
EP-1569932-A1 AMINOCYANOPYRIDINE INHIBITORS OF MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 Pharmacia Corporation (US) 2005-09-07 EP disclosed
US-20040142978-A1 Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION (US) 2004-07-22 US disclosed
WO-2004055015-A1 AMINOCYANOPYRIDINE INHIBITORS OF MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 PHARMACIA CORPORATION (US) 2004-07-01 WO disclosed
WO-2004054505-A2 METHOD OF USING AMINOCYANOPYRIDINE COMPOUNDS AS MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2004-07-01 WO disclosed
US-20040127519-A1 Method of using aminocyanopyridine compounds as mitogen activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION 2004-07-01 US 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-20040127519-A1 Method of using aminocyanopyridine compounds as mitogen activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP2K2, MAP3K2 HSD17B10 3712/4885ALDH1A1 4315/4885HPGD 1207/4885
US-20040142978-A1 Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 MAP4K2, MAP3K20, MAPKAPK2 HSD17B10 3911/4885ALDH1A1 3796/4885HPGD 806/4885

“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.