Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL660305

COc1cc(OCCOC(C)=O)ccc1NC(=O)CN.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.53
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MAPT P10636 4/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ LMNA P02545 2/20 0.41

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
SCHEMBL670409 0.92 HPGD (0.57) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL30440814 0.77 PYGL (0.47) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL17238937 0.77 PYGL (0.47) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL658861 0.76 ALDH1A1 (0.47) HPGDNPC1RAB9AALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL660384 0.76 CHIT1 (0.46) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL659201 0.75 ALDH1A1 (0.46) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL659467 0.72 ALDH1A1 (0.51) ALDH1A1MAPTTSHRLMNA
SCHEMBL5193854 0.71 KDM4E (0.51) HPGDNPC1ALDH1A1MAPTKMT2A
SCHEMBL28242416 0.69 CA12 (0.54) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL17414148 0.69 LPAR1 (0.59) HPGDALDH1A1SMN1; SMN2MAPTKMT2A

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
WO-2012022707-A1 SUBSTITUTED HETEROARYL SPIROPYRROLIDINE MDM2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-23 — — WO disclosed
US-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists BARTKOVITZ DAVID JOSEPH (US) 2012-02-23 — — 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-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists MDM2, TP53, RB1 HPGD 1707/4885NPC1 3887/4885RAB9A 2171/4885

“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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