SCHEMBL17532964

SCHEMBL17532964

CC(C)CS(=O)(=O)Nc1cncn1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
NOS1 P29475 3/20 0.36
RAB9A P51151 1/20 0.35
FPR1 P21462 1/20 0.34
MAPT P10636 1/20 0.34
CACNA1H O95180 2/20 0.34
CACNA1G O43497 1/20 0.34
KCNH2 Q12809 1/20 0.34
CYP17A1 P05093 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
CYP2C9 P11712 2/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
HTR6 P50406 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL19367721 0.77 CYP2C9 (0.55) CYP2C9CYP2C19
SCHEMBL5378514 0.71 RAB9A (0.40) HSP90AA1HSP90AB1NOS1RAB9ACYP2C9
SCHEMBL28044678 0.69 KEAP1 (0.52) MAPTPTGES2
SCHEMBL23320080 0.68 RAB9A (0.48) HSP90AA1HSP90AB1NOS1RAB9AMAPK1
SCHEMBL20033972 0.66 HSP90AA1 (0.51) HSP90AA1HSP90AB1NOS1RAB9A
SCHEMBL31011102 0.65 ALDH1A1 (0.50) SLC22A12CYP2C9CYP2C19
SCHEMBL5369097 0.65 TSHR (0.42) HSP90AA1HSP90AB1NOS1RAB9AMAPK1
SCHEMBL23719141 0.64 TSHR (0.53) RAB9A
SCHEMBL27535438 0.63 HSP90AA1 (0.46) HSP90AA1HSP90AB1NOS1RAB9A
SCHEMBL23320044 0.63 RAB9A (0.46) HSP90AA1HSP90AB1RAB9ACYP17A1

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-20170267668-A1 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD. (GB) 2017-09-21 US disclosed
US-20170267668-A1 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD. (GB) 2017-09-21 US disclosed
WO-2016026772-A1 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD (GB) 2016-02-25 WO 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-20170267668-A1 PHARMACEUTICAL COMPOUND TDO2, IDO1, IDO2 SLC22A12 1875/4885HSP90AA1 4820/4885HSP90AB1 4703/4885

“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.