SCHEMBL6444347

SCHEMBL6444347

C=C[C@H](Cc1ccccc1)NC(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.44
CTSB P07858 1/20 0.43
CTRB1 P17538 5/20 0.43
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CES1 P23141 1/20 0.41
ACE P12821 3/20 0.41
CAPN1 P07384 2/20 0.41
CYP1A2 P05177 1/20 0.40
FPR2 P25090 1/20 0.39
ECE1 P42892 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
SCHEMBL6444348 1.00 CPA1 (0.44) CPA1CTSBCTRB1NPSR1NPC1
SCHEMBL6446269 0.87 ACE (0.41) CPA1ACE
SCHEMBL6446274 0.87 ACE (0.41) CPA1ACE
SCHEMBL23571311 0.86 CTSB (0.56) CTSBACECAPN1
SCHEMBL4410581 0.85 MMP13 (0.46) CTSBNPC1RAB9ACES1ACE
SCHEMBL7799013 0.85 CTSB (0.46) CTSBCTRB1NPSR1NPC1RAB9A
SCHEMBL6981307 0.85 CTSB (0.43) CTSBCTRB1NPSR1NPC1RAB9A
SCHEMBL28055494 0.83 CTRB1 (0.59) CTRB1NPC1RAB9A
SCHEMBL7796543 0.83 CTRB1 (0.59) CTRB1NPC1RAB9A
SCHEMBL7626858 0.82 CTRB1 (0.50) CTRB1NPC1RAB9AACECAPN1

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
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
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0708760-A1 CYCLIC HYDRAZINE COMPOUNDS Novartis AG (CH) 1996-05-01 EP disclosed
WO-1995002582-A1 CYCLIC HYDRAZINE COMPOUNDS CIBA-GEIGY AG (CH) 1995-01-26 WO disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP 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 CPA1 247/4885CTSB 41/4885CTRB1 329/4885

“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.