SCHEMBL10169508

SCHEMBL10169508

CC(C)c1cccc(N(C)S(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
HSD17B1 P14061 4/20 0.47
HSD17B2 P37059 4/20 0.47
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NR1H3 Q13133 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44

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
SCHEMBL10169507 0.87 HSD17B1 (0.48) HSD17B1HSD17B2PSEN1PSEN2APH1B
SCHEMBL10169327 0.87 NR1H3 (0.53) HSD17B1HSD17B2HTTNPSR1L3MBTL1
SCHEMBL10169504 0.84 HSD17B1 (0.59) HSD17B1HSD17B2HTTNPSR1L3MBTL1
SCHEMBL10169506 0.82 NPC1 (0.60) HSD17B1HSD17B2HTTNPSR1L3MBTL1
SCHEMBL10212711 0.81 ALDH1A1 (0.59) FFAR1HSD17B1HSD17B2PSEN1PSEN2
SCHEMBL14469933 0.78 FFAR1 (0.74) FFAR1HTTNPSR1L3MBTL1CA12
SCHEMBL18085884 0.78 LMNA (0.55) HSD17B1HSD17B2HTTL3MBTL1CA12
SCHEMBL10169398 0.77 CYP11B1 (0.47) HSD17B1HSD17B2L3MBTL1NR1H3
SCHEMBL10169213 0.77 ALDH1A1 (0.48) HTTL3MBTL1CA9MAPK1KMT2A
SCHEMBL19019173 0.77 ALDH1A1 (0.72) HSD17B10

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 FFAR1 910/4885HSD17B1 2692/4885HSD17B2 3012/4885

“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.