SCHEMBL19711202

SCHEMBL19711202

Cc1cccc(N2CCN(S(C)(=O)=O)CC2(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
DPP4 P27487 1/20 0.41
PIK3CD O00329 1/20 0.41
CYP2C9 P11712 4/20 0.40
CYP1A2 P05177 3/20 0.40
HSD17B10 Q99714 3/20 0.40
USP2 O75604 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 2/20 0.40
CYP2D6 P10635 1/20 0.40
HIF1A Q16665 1/20 0.40
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL19701973 0.83 PIK3CD (0.39) SMN1; SMN2PIK3CDCYP2C9CYP1A2HSD17B10
SCHEMBL9018985 0.76 SMN1; SMN2 (0.59) SMN1; SMN2KDM4ENPC1RAB9ADPP4
SCHEMBL19710656 0.75 PIK3CD (0.48) NPC1RAB9ADPP4PIK3CDCYP1A2
SCHEMBL19710651 0.72 PIK3CD (0.44) SMN1; SMN2PIK3CDCYP2C9CYP1A2HSD17B10
SCHEMBL19710647 0.72 TSHR (0.44) RAB9AHSD17B10ALDH1A1MAPTL3MBTL1
SCHEMBL19710839 0.71 PIK3CD (0.44) RAB9APIK3CDHSD17B10ALDH1A1MAPT
SCHEMBL25088685 0.70 L3MBTL1 (0.46) SMN1; SMN2KDM4ENPC1RAB9ADPP4
SCHEMBL19710856 0.68 HTR7 (0.47) SMN1; SMN2KDM4ENPC1RAB9ADPP4
SCHEMBL15829985 0.64 ALDH1A1 (0.57) SMN1; SMN2KDM4EALDH1A1MAPTRECQL
SCHEMBL8324269 0.63 LMNA (0.32) SMN1; SMN2CYP2C9CYP1A2HSD17B10USP2

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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 SMN1; SMN2 4355/4885KDM4E 2233/4885NPC1 3573/4885

“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.