Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL315738

Cc1nnc(C2CCNCC2)n1-c1ccc(Cl)cc1F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.39
BRD4 O60885 6/20 0.38
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
AVPR1A P37288 4/20 0.37
SHMT1 P34896 1/20 0.36
SHMT2 P34897 1/20 0.36
SOS1 Q07889 1/20 0.36
SETDB1 Q15047 1/20 0.36
PDE4B Q07343 1/20 0.36
PRCP P42785 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 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
SCHEMBL8284390 0.91 AVPR1A (0.42) BRD4AVPR1ASOS1
SCHEMBL314800 0.79 AVPR1A (0.43) BRD4AVPR1ASOS1
SCHEMBL27831816 0.75 SETDB1 (0.42) BRD4PTGDR2AVPR1ASOS1SETDB1
Trifluoroacetic Acid SCHEMBL29932086 0.74 OPRL1 (0.43) DPP4DPP7SHMT1SHMT2PRCP
SCHEMBL315230 0.73 HTR3A (0.41) BRD4AVPR1A
SCHEMBL314441 0.72 AVPR1A (0.58) BRD4AVPR1A
Hydrochloric Acid SCHEMBL314895 0.71 AVPR1A (0.57) BRD4AVPR1A
SCHEMBL27648769 0.71 HTR3A (0.41) BRD4AVPR1A
SCHEMBL314328 0.70 AVPR1A (0.43) BRD4PTGDR2AVPR1ASETDB1
Trifluoroacetic Acid SCHEMBL25389866 0.69 KMT2A (0.48) DPP4DPP7PRCP

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
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
EP-1701959-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2006-09-20 EP disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 SLC22A12 4470/4885BRD4 213/4885DPP4 2559/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 SLC22A12 1943/4885BRD4 1989/4885DPP4 3313/4885

“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.