Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL460342

Nc1ccc(NC(=O)N2CCC(=Cc3cc(F)ccc3F)CC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
HPGDS O60760 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.38
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
USP2 O75604 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
SCHEMBL17387429 0.94 KMT2A (0.48) KMT2ASMN1; SMN2NPC1RAB9ATRPM8
Trifluoroacetic Acid SCHEMBL460043 0.88 CYP3A4 (0.41) KMT2ASMN1; SMN2NPC1RAB9AHPGDS
SCHEMBL460219 0.83 SMN1; SMN2 (0.51) KMT2ASMN1; SMN2NPC1RAB9APOLB
SCHEMBL459806 0.83 GLA (0.49) KMT2ASMN1; SMN2NPC1RAB9APOLB
SCHEMBL17387431 0.81 KMT2A (0.41) KMT2ASMN1; SMN2NPC1RAB9APOLB
SCHEMBL15052561 0.80 MAPT (0.43) KMT2ASMN1; SMN2NPC1RAB9APOLB
SCHEMBL459295 0.80 MAPT (0.49) KMT2ASMN1; SMN2NPC1RAB9APOLB
SCHEMBL460471 0.79 NPC1 (0.53) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL460006 0.77 FAAH (0.53) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL458109 0.76 GRM4 (0.50) SMN1; SMN2NPC1RAB9APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
EP-2615084-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS Taiho Pharmaceutical Co., Ltd. (JP) 2013-07-17 EP disclosed
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 US disclosed
WO-2012033069-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS 大鵬薬品工業株式会社 (JP) 2012-03-15 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 (1 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-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS PTGIS, PTGS1, PTGDR KMT2A 3659/4885SMN1; SMN2 4361/4885NPC1 2377/4885

“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.