SCHEMBL10169313

SCHEMBL10169313

CC(C)c1cccc(N(C)S(=O)(=O)Cc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.46
GRM2 Q14416 3/20 0.43
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NAMPT P43490 1/20 0.40
CNR2 P34972 4/20 0.39
TSHR P16473 1/20 0.38
BCHE P06276 1/20 0.37
NR1I2 O75469 1/20 0.36
RORA P35398 1/20 0.36
RORC P51449 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
RORB Q92753 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL10169322 0.83 GRM2 (0.41) GRM2HPGDTSHR
SCHEMBL18970400 0.83 HSP90AA1 (0.46) HSP90AA1USP2HPGDHSD17B10NAMPT
SCHEMBL3822620 0.81 HSP90AA1 (0.61) HSP90AA1USP2HPGDHSD17B10NAMPT
SCHEMBL15676786 0.81 HSP90AA1 (0.50) HSP90AA1GRM2USP2HPGDHSD17B10
SCHEMBL1696913 0.78 HSP90AA1 (0.47) HSP90AA1GRM2USP2HPGDHSD17B10
SCHEMBL10169327 0.78 NR1H3 (0.53) TSHRNR1I2NR1H2NR1H3
SCHEMBL1692221 0.77 HSP90AA1 (0.46) HSP90AA1GRM2USP2HPGDHSD17B10
SCHEMBL10169213 0.77 ALDH1A1 (0.48) USP2HPGD
SCHEMBL10180842 0.76 TSHR (0.45) HSD17B10NAMPTCNR2TSHRCNR1
SCHEMBL20389415 0.74 HSP90AA1 (0.49) HSP90AA1USP2HPGDHSD17B10NAMPT

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-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
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 HSP90AA1 1609/4885GRM2 2419/4885USP2 4786/4885

“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.