Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL18577478

CC1(O)CN[C@@H](Cc2ccc(Cl)cc2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
SLC1A2 P43004 1/20 0.37
KDM1A O60341 2/20 0.37
CHIT1 Q13231 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
RAB9A P51151 1/20 0.34
AGTR1 P30556 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
MC4R P32245 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
SCHEMBL18589425 0.88 TRPA1 (0.41) TRPA1CHIT1MAPTALDH1A1DRD2
SCHEMBL18609377 0.88 TRPA1 (0.41) TRPA1CHIT1MAPTALDH1A1DRD2
SCHEMBL18577480 0.79 TRPA1 (0.38) TRPA1SMN1; SMN2MAPTALDH1A1
SCHEMBL27290836 0.77 POLB (0.44)
SCHEMBL26220105 0.75 TRPA1 (0.42) TRPA1CHIT1ALDH1A1DRD2
SCHEMBL22903708 0.75 TRPA1 (0.42) TRPA1CHIT1ALDH1A1DRD2
SCHEMBL22901884 0.75 TRPA1 (0.42) TRPA1CHIT1ALDH1A1DRD2
Hydrochloric Acid SCHEMBL28702285 0.74 TRPA1 (0.41) TRPA1CHIT1ALDH1A1DRD2
Trifluoroacetic Acid SCHEMBL25383507 0.72 KDM1A (0.40) TRPA1SLC1A2KDM1A
Trifluoroacetic Acid SCHEMBL25382893 0.72 KDM1A (0.40) TRPA1SLC1A2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108290863-B Substituted aminotriazoles useful as human chitinase inhibitors 昂科艾伦迪治疗法公司 2020-05-05 CN disclosed
US-20190345137-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2019-11-14 US disclosed
US-10208020-B2 Substituted amino triazoles useful as human chitinase inhibitors Oncoarendi Therapeutics S.A. (PL) 2019-02-19 US disclosed
EP-3344616-B1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS SA (PL) 2019-01-09 EP disclosed
US-20180258071-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2018-09-13 US disclosed
EP-3344616-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS S.A. (PL) 2018-07-11 EP disclosed
US-9944624-B2 Substituted amino triazoles useful as human chitinase inhibitors Oncoarendi Therapeutics S.A. (PL) 2018-04-17 US disclosed
US-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS GALAPAGOS NV (BE) 2017-03-09 US disclosed
WO-2017037670-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS OncoArendi Therapeutics Sp. z o.o. (PL) 2017-03-09 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 (4 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-20190345137-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC TRPA1 588/4885SLC1A2 2176/4885KDM1A 2789/4885
US-10208020-B2 Substituted amino triazoles useful as human chitinase inhibitors CHIA, CHIT1, AADAC TRPA1 588/4885SLC1A2 2176/4885KDM1A 2789/4885
US-20170066743-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC TRPA1 588/4885SLC1A2 2176/4885KDM1A 2789/4885
US-20180258071-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS CHIA, CHIT1, AADAC TRPA1 588/4885SLC1A2 2176/4885KDM1A 2789/4885

“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.