Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6458433

COc1cc(CN[C@H]2CC[C@@H](Nc3cc(C)c4ccccc4n3)CC2)cc(OC)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.53
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6463914 0.92 KDM4E (0.59) MCHR1KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL6463934 0.92 KDM4E (0.59) MCHR1KDM4ELMNASMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL6455648 0.87 KDM4E (0.52) MCHR1KDM4ELMNASMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL6457352 0.85 KDM4E (0.51) MCHR1KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL6866791 0.79 MCHR1 (0.58) MCHR1KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL6866792 0.79 MCHR1 (0.58) MCHR1KDM4ELMNASMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL4263492 0.79 CNR1 (0.44) MCHR1KDM4ELMNAALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL6457766 0.78 NPC1 (0.52) MCHR1KDM4ELMNASMN1; SMN2MEN1
Trifluoroacetic Acid SCHEMBL6463642 0.78 MCHR1 (0.64) MCHR1KDM4ELMNASMN1; SMN2
SCHEMBL6463260 0.78 KDM4E (0.61) MCHR1KDM4ELMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 MCHR1 2/4885KDM4E 1190/4885LMNA 3391/4885

“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.