Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL23493733

CNC1(c2nc(C)no2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 6/20 0.35
FABP5 Q01469 6/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
BDKRB1 P46663 1/20 0.31
CHRM2 P08172 1/20 0.30
CRHR1 P34998 1/20 0.30

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
SCHEMBL15998536 0.84 CHRM2 (0.37) CHRM2CRHR1
SCHEMBL2727124 0.79 CHRM2 (0.34) FABP4FABP5CHRM2CRHR1
SCHEMBL23588266 0.68 CHRM2 (0.36) FABP4FABP5HDAC3HDAC4HDAC1
SCHEMBL12904914 0.67 CHRM2 (0.35) CHRM2CRHR1
Trifluoroacetic Acid SCHEMBL22615378 0.66 F10 (0.32)
SCHEMBL22629017 0.65 KDM1A (0.43) FABP4FABP5CHRM2
SCHEMBL22347897 0.65 HSD11B1 (0.43) CHRM2
SCHEMBL23588192 0.64 CHRM2 (0.33) FABP4FABP5CHRM2
SCHEMBL22395041 0.64 CHRM2 (0.33) FABP4FABP5CHRM2
SCHEMBL22629019 0.63 HSD11B1 (0.35) FABP4FABP5CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306647-A1 NOVEL INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITUS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-09-29 US disclosed
EP-3962914-A1 NOVEL INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AiCuris GmbH & Co. KG (DE) 2022-03-09 EP disclosed
US-11236087-B2 Highly active pyrazolo-piperidine substituted indole-2-carboxamides active against the hepatitis B virus (HBV) AICURIS GMBH & CO. KG (DE) 2022-02-01 US disclosed
US-20210179608-A1 NOVEL, HIGHLY ACTIVE PYRAZOLO-PIPERIDINE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2021-06-17 US disclosed
CN-111527087-A Novel highly active pyrazolo-piperidine substituted indole-2-carboxamides having activity against Hepatitis B Virus (HBV) 艾库里斯有限及两合公司 2020-08-11 CN 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 (3 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-20210179608-A1 NOVEL, HIGHLY ACTIVE PYRAZOLO-PIPERIDINE SUBSTITUTED INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) CDK2, HCCS, BRD4 FABP4 4082/4885FABP5 860/4885HDAC3 164/4885
US-20220306647-A1 NOVEL INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITUS B VIRUS (HBV) HCCS, IDO1, BRD4 FABP4 2702/4885FABP5 474/4885HDAC3 263/4885
US-11236087-B2 Highly active pyrazolo-piperidine substituted indole-2-carboxamides active against the hepatitis B virus (HBV) HCCS, BRD4, CDK2 FABP4 4129/4885FABP5 828/4885HDAC3 128/4885

“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.