Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4730617

CNC1CCC(C(=O)NCc2cc(-c3ccc(C)nc3)ccc2OC)CC1.O=C(O)C(F)(F)F.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
RXFP1 Q9HBX9 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.41
KCNH2 Q12809 1/20 0.41
EPHX2 P34913 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
QRFPR Q96P65 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAK O14976 1/20 0.40
MAPT P10636 2/20 0.40
SMO Q99835 1/20 0.40
CHRM4 P08173 1/20 0.40
ABL1 P00519 1/20 0.40
CDK1 P06493 2/20 0.39
CDK2 P24941 2/20 0.39
CDK9 P50750 2/20 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
Hydrochloric Acid SCHEMBL4732108 0.93 KDM4E (0.47) RXFP1KDM4ENPSR1L3MBTL1HPGD
Trifluoroacetic Acid SCHEMBL4733545 0.90 KDM4E (0.42) RXFP1KDM4ENPSR1L3MBTL1HPGD
Trifluoroacetic Acid SCHEMBL4730619 0.90 GRIN2B (0.38) KCNH2ABL1
Trifluoroacetic Acid SCHEMBL4732981 0.90 RXFP1 (0.42) RXFP1KDM4ENPSR1L3MBTL1HPGD
Trifluoroacetic Acid SCHEMBL4732311 0.86 PPARD (0.47) RXFP1KDM4ENPSR1L3MBTL1HPGD
SCHEMBL4731156 0.86 KDM4E (0.46) RXFP1KDM4ENPSR1L3MBTL1HPGD
Trifluoroacetic Acid SCHEMBL4731935 0.86 GSK3B (0.44) RXFP1KDM4ENPSR1L3MBTL1HPGD
Trifluoroacetic Acid SCHEMBL4732768 0.86 QRFPR (0.44) RXFP1KDM4ENPSR1L3MBTL1HPGD
Trifluoroacetic Acid SCHEMBL4732358 0.85 ABL1 (0.42) RXFP1KDM4ENPSR1L3MBTL1HPGD
Hydrochloric Acid SCHEMBL4730543 0.84 MAPT (0.47) RXFP1KDM4ENPSR1L3MBTL1NPC1

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-2008057469-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION WYETH (US) 2008-05-15 WO disclosed
WO-2008057497-A2 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
WO-2007089669-A2 PROCESSES FOR THE PREPARATION OF COMPOUNDS WHICH MODULATE CELL PROLIFERATION WYETH (US) 2007-08-09 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-20080193423-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO RXFP1 2112/4885KDM4E 274/4885NPSR1 3215/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX RXFP1 4040/4885KDM4E 1883/4885NPSR1 2016/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO RXFP1 2112/4885KDM4E 274/4885NPSR1 3215/4885
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 RXFP1 1232/4885KDM4E 52/4885NPSR1 3888/4885

“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.