SCHEMBL6446274

SCHEMBL6446274

C=CC(Cc1ccc(F)cc1)NC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.41
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
ALDH1A1 P00352 1/20 0.37
PLOD2 O00469 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MME P08473 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CPA1 P15085 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL6446269 1.00 ACE (0.41) ACENOS3NOS1NOS2ALDH1A1
SCHEMBL6444348 0.87 CPA1 (0.44) ACECPA1
SCHEMBL6444347 0.87 CPA1 (0.44) ACECPA1
SCHEMBL8726475 0.76 ACE (0.63) ACEALDH1A1MMECPA1CTSS
SCHEMBL908205 0.76 ACE (0.63) ACEALDH1A1MMECPA1CTSS
SCHEMBL908204 0.76 ACE (0.63) ACEALDH1A1MMECPA1CTSS
SCHEMBL24380337 0.75 TRPA1 (0.46) ACENOS3NOS1NOS2ALDH1A1
SCHEMBL25651870 0.73 EPHX1 (0.41) NOS3NOS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL23571311 0.73 CTSB (0.56) ACE
SCHEMBL4410581 0.72 MMP13 (0.46) ACEALDH1A1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
US-5670497-A RETROVIRAL PROTEASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1997-09-23 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 ACE 29/4885NOS3 1806/4885NOS1 1299/4885

“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.