Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6183907

CC(C)CCN(C(=O)NCC#N)C(=O)c1cccc(NC(=O)N2CCN(Cc3ccccc3)CC2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 16/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44

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 SCHEMBL6182101 0.92 PRKAB2 (0.49) FAAHKDM4EMAPTPRKAB2PRKAG1
Trifluoroacetic Acid SCHEMBL6183904 0.89 FAAH (0.47) FAAHKDM4EMAPTNPC1RAB9A
SCHEMBL6184516 0.84 KDM4E (0.44) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6186860 0.83 NPC1 (0.47) KDM4ENPC1RAB9A
Trifluoroacetic Acid SCHEMBL6182095 0.80 PRKAB2 (0.50) FAAHKDM4EMAPTPRKAB2PRKAG1
SCHEMBL6182405 0.80 GAA (0.46) KDM4EMAPTTSHR
SCHEMBL6876209 0.78 CASR (0.42) KDM4EMAPTNPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL6181685 0.77 CNR1 (0.37) FAAHRAB9ATSHRPRKAB2PRKAG1
SCHEMBL7486324 0.75 FAAH (0.53) FAAHKDM4EMAPTNPC1RAB9A
SCHEMBL5521755 0.73 PRMT5 (0.42)

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
EP-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 EP disclosed
US-6593327-B2 N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates AXYS PHARMACEUTICALS, INC. 2003-07-15 US disclosed
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 US disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 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-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 FAAH 629/4885KDM4E 2428/4885MAPT 2606/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 FAAH 629/4885KDM4E 2428/4885MAPT 2606/4885

“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.