SCHEMBL14876641

SCHEMBL14876641

CC(C)C(NC(=O)c1ccc2ccccc2c1)C(=O)NC(C=O)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 11/20 0.59
CAPN1 P07384 3/20 0.53
CTSB P07858 1/20 0.51
CASP8 Q14790 1/20 0.51
CCR1 P32246 1/20 0.50
PIN1 Q13526 2/20 0.49

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
SCHEMBL29367448 1.00 CASP1 (0.59) CASP1CAPN1CTSBCASP8CCR1
SCHEMBL3056806 1.00 CASP1 (0.59) CASP1CAPN1CTSBCASP8CCR1
SCHEMBL23234581 0.87 CTSB (0.58) CAPN1CTSB
SCHEMBL28490124 0.83 CASP1 (0.56) CASP1CASP8CCR1PIN1
SCHEMBL7402876 0.83 CASP1 (0.61) CASP1CAPN1CTSBCASP8
SCHEMBL23235027 0.82 CTSB (0.53) CAPN1CTSB
SCHEMBL20204722 0.81 CTSB (0.62) CAPN1CTSB
SCHEMBL3907752 0.80 CAPN1 (0.49) CAPN1CTSB
SCHEMBL7789989 0.80 NR1H4 (0.58) CAPN1PIN1
SCHEMBL7789992 0.80 NR1H4 (0.58) CAPN1PIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102538-A1 METHOD OF TREATING ALZHEIMER'S DISEASE USING PHARMACOLOGICAL CHAPERONES TO INCREASE PRESENILIN FUNCTION AND GAMMA-SECRETASE ACTIVITY AMICUS THERAPEUTICS, INC. (US) 2013-04-25 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-20130102538-A1 METHOD OF TREATING ALZHEIMER'S DISEASE USING PHARMACOLOGICAL CHAPERONES TO INCREASE PRESENILIN FUNCTION AND GAMMA-SECRETASE ACTIVITY PSEN1, PSEN2, APP CASP1 2265/4885CAPN1 137/4885CTSB 201/4885

“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.