Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4732768

CNC1CCC(C(=O)NCc2cc(-c3ccc(C(=O)C(F)(F)F)cc3)ccc2OC)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 1/20 0.44
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
RXFP1 Q9HBX9 2/20 0.42
EPHX2 P34913 4/20 0.41
ALDH1A1 P00352 4/20 0.41
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
LMNA P02545 1/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
PPARG P37231 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4734449 0.97 HPGD (0.45) QRFPRHPGDKDM4ENPSR1L3MBTL1
Trifluoroacetic Acid SCHEMBL4732363 0.91 PPARD (0.43) NPC1PKMRAB9ARXFP1EPHX2
Trifluoroacetic Acid SCHEMBL4732311 0.90 PPARD (0.47) QRFPRHPGDKDM4ENPSR1L3MBTL1
Trifluoroacetic Acid SCHEMBL4732776 0.89 PDE4A (0.40) KDM4EEPHX2PPARDPPARAPPARG
Trifluoroacetic Acid SCHEMBL4735926 0.88 POLB (0.38) KDM4EPKMRAB9AEPHX2
Hydrochloric Acid SCHEMBL4731283 0.87 PPARD (0.43) NPC1PKMRAB9ARXFP1EPHX2
Trifluoroacetic Acid SCHEMBL4734503 0.87 HPGD (0.41) QRFPRHPGDKDM4ENPSR1L3MBTL1
Trifluoroacetic Acid SCHEMBL4730617 0.86 RXFP1 (0.43) QRFPRHPGDKDM4ENPSR1L3MBTL1
SCHEMBL4734453 0.86 MEN1 (0.40) KDM4EEPHX2ALDH1A1PPARDPPARA
Trifluoroacetic Acid SCHEMBL4731908 0.85 RXFP1 (0.43) QRFPRHPGDKDM4ENPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273747-B2 tert-Butyl (4-((4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino)-cyclohexyl)-methyl-carbamate; hedgehog pathway agonists; alopecia; angiogenesis; wound healing; alzheimer's disease; inhibit aging effects on skin CURIS, INC. (US) 2012-09-25 US disclosed
US-20080193423-A1 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2008-08-14 US disclosed
US-20080194637-A1 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2008-08-14 US disclosed
US-20080182859-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin CURIS, INC. (US) 2008-07-31 US disclosed
WO-2008057497-A2 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed
WO-2008057469-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION WYETH (US) 2008-05-15 WO disclosed
WO-2008057468-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed
US-20080058521-A1 Processes for the preparation of compounds WYETH (US) 2008-03-06 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 (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-20080193423-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO QRFPR 4034/4885HPGD 3329/4885KDM4E 274/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX QRFPR 4557/4885HPGD 827/4885KDM4E 1883/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO QRFPR 4034/4885HPGD 3329/4885KDM4E 274/4885
US-20080182859-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin SHH, GLI1, SMO QRFPR 880/4885HPGD 3204/4885KDM4E 52/4885

“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.