SCHEMBL4834844

SCHEMBL4834844

CCN1C(=O)SC(Cc2ccc(N)cc2)C1=O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.67
MAPT P10636 2/20 0.48
MCL1 Q07820 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 4/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
ATAD2 Q6PL18 1/20 0.36
AURKA O14965 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
SCHEMBL4834098 0.81 PPARG (0.55) PPARGMAPTMCL1KDM4ECYP19A1
SCHEMBL15828870 0.74 MAPT (0.52) PPARGMAPTMCL1KDM4EALDH1A1
SCHEMBL22091734 0.68 CAPN1 (0.68) PPARGMAPTCYP19A1ALDH1A1
SCHEMBL22099884 0.68 CAPN1 (0.68) PPARGMAPTCYP19A1ALDH1A1
SCHEMBL21783138 0.67 MCL1 (0.67) PPARGMCL1ALDH1A1POLBKMT2A
SCHEMBL5208299 0.65 MAPT (1.00) PPARGMAPTALDH1A1KMT2AMEN1
SCHEMBL12291322 0.63 PPARG (0.60) PPARGMAPTMCL1KDM4EPOLB
SCHEMBL6032172 0.63 MAPT (0.53) PPARGMAPTMCL1KDM4EALDH1A1
SCHEMBL6037063 0.62 MAPT (0.52) PPARGMAPTMCL1KDM4EALDH1A1
SCHEMBL1361452 0.62 F2 (0.39) MAPTKDM4EALDH1A1KMT2AMEN1

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-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 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 (2 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 PPARG 1111/4885MAPT 3203/4885MCL1 4795/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 PPARG 1111/4885MAPT 3203/4885MCL1 4795/4885

“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.