Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL14839956

Cn1ncc2c(C3COCCN3)cccc21.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 5/20 0.37
▸ SSTR1 P30872 1/20 0.37
▸ SSTR2 P30874 1/20 0.37
▸ SSTR3 P32745 1/20 0.37
▸ SSTR5 P35346 1/20 0.37
▸ TRPV1 Q8NER1 7/20 0.36
▸ BCDIN3D Q7Z5W3 1/20 0.35
▸ SLC16A3 O15427 1/20 0.34
▸ SLC16A1 P53985 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ RBP4 P02753 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ KDM1A O60341 1/20 0.33

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
SCHEMBL14839527 0.89 BCDIN3D (0.35) SSTR4SSTR1SSTR2SSTR3SSTR5
Trifluoroacetic Acid SCHEMBL14839980 0.76 PRCP (0.39) SSTR4TRPV1KDM1A
Trifluoroacetic Acid SCHEMBL14829254 0.72 PRCP (0.34) SSTR4RBP4KDM1A
SCHEMBL14839957 0.72 TRPV1 (0.35) SSTR4SSTR1SSTR2SSTR3SSTR5
Trifluoroacetic Acid SCHEMBL14829349 0.71 KDM1A (0.44) KDM1A
Trifluoroacetic Acid SCHEMBL14830108 0.70 SLC6A2 (0.41) KDM1A
Trifluoroacetic Acid SCHEMBL14839831 0.68 KDM1A (0.47) KDM1A
SCHEMBL25347686 0.68 TRPV1 (0.36) TRPV1CREBBPABL1
SCHEMBL25347693 0.68 TRPV1 (0.36) TRPV1CREBBPABL1
SCHEMBL30434319 0.68 TRPV1 (0.36) TRPV1CREBBPABL1

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-2751088-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2016-04-13 — — EP disclosed
US-8765751-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-01 — — US disclosed
US-20130089624-A1 Compounds Useful as Inhibitors of ATR Kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 — — 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-20130089624-A1 Compounds Useful as Inhibitors of ATR Kinase ATR, CHEK1, PLK1 SSTR4 4666/4885SSTR1 4446/4885SSTR2 4543/4885

“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.

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