Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1920549

NC1CCN(Cc2ccc3c(c2)OCO3)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
MCHR1 Q99705 4/20 0.54
TSHR P16473 3/20 0.54
ALDH1A1 P00352 3/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 1/20 0.53
SLC18A3 Q16572 1/20 0.51
FAAH O00519 1/20 0.51

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
SCHEMBL4122797 0.88 TSHR (0.62) SIGMAR1KMT2AMEN1MCHR1TSHR
SCHEMBL8099486 0.88 TSHR (0.62) SIGMAR1KMT2AMEN1MCHR1TSHR
Hydrochloric Acid SCHEMBL6307326 0.86 TSHR (0.61) SIGMAR1KMT2AMEN1MCHR1TSHR
Hydrochloric Acid SCHEMBL6188603 0.86 TSHR (0.61) SIGMAR1KMT2AMEN1MCHR1TSHR
SCHEMBL28591860 0.80 TSHR (0.56) SIGMAR1KMT2AMEN1MCHR1TSHR
SCHEMBL2795763 0.80 CYP2D6 (0.64) SIGMAR1KMT2AMCHR1TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL1920595 0.79 ARG1 (0.52) SIGMAR1KMT2AMEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL1920766 0.79 SIGMAR1 (0.53) SIGMAR1MCHR1
Trifluoroacetic Acid SCHEMBL1921350 0.79 MCHR1 (0.58) SIGMAR1KMT2AMCHR1FAAH
Trifluoroacetic Acid SCHEMBL1921565 0.77 SIGMAR1 (0.59) SIGMAR1KMT2AMEN1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622914-B1 NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS TROVIS PHARMACEUTICALS LLC (US) 2011-06-01 EP disclosed
US-7030240-B2 5-HT receptor antagonist; [1-(2-Fluoro-benzyl)-piperidin-4-yl]-(5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-amine; treating vascular disorders, angina, migraine, pulmonary hypertension and systemic hypertension PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2006-04-18 US disclosed
US-20040248904-A1 New piperidinylamino-thieno[2,3-d] pyrimidine compounds TROVIS PHARMACEUTICALS, LLC 2004-12-09 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 (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-20040248904-A1 New piperidinylamino-thieno[2,3-d] pyrimidine compounds HTR5A, HTR2C, HTR1A SIGMAR1 1187/4885KMT2A 3770/4885MEN1 2833/4885

“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.