Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4376570

O=C(NC(=O)[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CCCN1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
CTSC P53634 1/20 0.45
CCR4 P51679 1/20 0.44
CNR2 P34972 1/20 0.43
CACNA1G O43497 1/20 0.43
OPRL1 P41146 5/20 0.42
OPRK1 P41145 4/20 0.42
OPRM1 P35372 3/20 0.42
HTR2C P28335 2/20 0.41
HTR2B P41595 1/20 0.41
SPHK1 Q9NYA1 1/20 0.40
WNT3 P56703 1/20 0.39
SFRP1 Q8N474 1/20 0.39
PTGER4 P35408 1/20 0.39
HSD11B1 P28845 2/20 0.39
CHRM3 P20309 1/20 0.39
F2 P00734 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL4372725 1.00 NPSR1 (0.48) NPSR1CTSCCCR4CNR2CACNA1G
Trifluoroacetic Acid SCHEMBL29290360 0.79 CYP1A2 (0.53) NPSR1CCR4CNR2CACNA1GSPHK1
SCHEMBL7105021 0.77 F2 (0.49) NPSR1PTGER4HSD11B1F2
Hydrochloric Acid SCHEMBL7147052 0.76 F2 (0.51) NPSR1PTGER4HSD11B1F2
Trifluoroacetic Acid SCHEMBL4372721 0.75 ALDH1A1 (0.56) HTR2CHTR2BCHRM3F2
Trifluoroacetic Acid SCHEMBL4376564 0.75 ALDH1A1 (0.56) HTR2CHTR2BCHRM3F2
Trifluoroacetic Acid SCHEMBL30859244 0.74 ELANE (0.50) NPSR1CCR4CNR2PTGER4
SCHEMBL10154052 0.72 NPSR1 (0.65) NPSR1CCR4CNR2CACNA1GOPRL1
SCHEMBL7452551 0.71 FKBP1A (0.60) NPSR1CCR4CACNA1GOPRL1OPRK1
SCHEMBL2441194 0.71 FKBP1A (0.60) NPSR1CCR4CACNA1GOPRL1OPRK1

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-7626023-B2 Compounds for treating tumors WYETH (US) 2009-12-01 US disclosed
US-20080221181-A1 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2008-09-11 US disclosed
US-7390910-B2 Compounds for treating tumors WYETH (US) 2008-06-24 US disclosed
WO-2005016958-A2 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2005-02-24 WO disclosed
US-20050037977-A1 Compounds for treating tumors WYETH HOLDINGS CORPORATION (US) 2005-02-17 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-20080221181-A1 COMPOUNDS FOR TREATING TUMORS RB1, MRPL9, BCOR NPSR1 1234/4885CTSC 4700/4885CCR4 2371/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR NPSR1 1234/4885CTSC 4700/4885CCR4 2371/4885

“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.