SCHEMBL10169498

SCHEMBL10169498

CC(C)c1cccc(CS(=O)(=O)N2CCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.58
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL10210773 0.80 HPGD (0.63) HPGDTSHRALDH1A1KMT2AMAPT
SCHEMBL23714486 0.77 HPGD (0.63) HPGDTSHRALDH1A1KMT2AKDM4E
SCHEMBL2937860 0.77 HPGD (0.63) HPGDTSHRALDH1A1KMT2A
SCHEMBL12545612 0.76 HDAC4 (0.42) HPGDALDH1A1KDM4EMAPT
SCHEMBL4431567 0.76 HPGD (0.66) HPGDTSHRALDH1A1KDM4EMAPT
SCHEMBL6738518 0.76 TSHR (0.96) HPGDTSHRALDH1A1KMT2AKDM4E
SCHEMBL25820331 0.74 HDAC4 (0.41) HPGDALDH1A1KDM4EMAPT
SCHEMBL9612077 0.74 TSHR (1.00) HPGDTSHRALDH1A1KMT2AKDM4E
SCHEMBL3936704 0.74 TSHR (1.00) HPGDTSHRALDH1A1KMT2AKDM4E
SCHEMBL12278157 0.74 ALDH1A1 (0.63) TSHRALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 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 (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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT HPGD 225/4885TSHR 3658/4885ALDH1A1 2193/4885

“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.