Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL460043

Nc1ccc(NC(=O)N2CCC(=Cc3cc(F)ccc3F)CC2)cn1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 2/20 0.41
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 2/20 0.37
PKM P14618 1/20 0.37
PDGFRB P09619 1/20 0.37
MAPT P10636 1/20 0.36
CDK8 P49336 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CSNK1E P49674 1/20 0.36
HPGDS O60760 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NPC1 O15118 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
SCHEMBL17387431 0.94 KMT2A (0.41) CYP3A4CYP2D6KMT2APKMPDGFRB
Trifluoroacetic Acid SCHEMBL460342 0.88 KMT2A (0.43) CYP3A4KMT2AMAPTSMN1; SMN2TRPM8
SCHEMBL17387429 0.82 KMT2A (0.48) KMT2AMAPTSMN1; SMN2TRPM8NPC1
SCHEMBL460219 0.78 SMN1; SMN2 (0.51) CYP3A4KMT2APDGFRBMAPTSMN1; SMN2
SCHEMBL459806 0.78 GLA (0.49) CYP3A4KMT2APDGFRBMAPTSMN1; SMN2
SCHEMBL15052036 0.78 CYP3A4 (0.42) CYP3A4CYP2D6KMT2AMAPTKIT
SCHEMBL458132 0.76 KDM4E (0.61) KDM4ETRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL15052561 0.75 MAPT (0.43) CYP3A4CYP2D6KMT2AMAPTSMN1; SMN2
SCHEMBL458121 0.75 NPC1 (0.47) KMT2AKDM4EPKMMAPTSMN1; SMN2
SCHEMBL458109 0.75 GRM4 (0.50) PKMMAPTSMN1; SMN2NPC1RAB9A

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 CYP3A4 1379/4885CYP2D6 559/4885KMT2A 3659/4885

“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.