SCHEMBL17703500

SCHEMBL17703500

Cc1cnc(S(C)(=O)=O)cc1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 2/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ MINK1 Q8N4C8 1/20 0.33
▸ TNIK Q9UKE5 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ G6PD P11413 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CCR6 P51684 1/20 0.32
▸ HIF1A Q16665 1/20 0.32

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
SCHEMBL19931370 0.84 GPR119 (0.33) FYNMAP4K4MINK1TNIKKDM4E
SCHEMBL14243224 0.81 NOS3 (0.43) KDM4EMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL16248181 0.77 HSP90AA1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19HSD17B10
SCHEMBL14706959 0.76 PTGS2 (0.37) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL12549572 0.76 PIK3CD (0.31) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL18594441 0.74 NOS3 (0.40) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL16651152 0.74 FYN (0.32) FYNMAP4K4MINK1TNIKPIK3CD
SCHEMBL27935057 0.72 PIK3CD (0.31) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL1458885 0.72 GAA (0.32) ALDH1A1MEN1KMT2APIK3CDPIP5K1C
SCHEMBL3257964 0.72 UHRF1 (0.52) FYNMAP4K4MINK1TNIKKDM4E

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-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-04-28 — — 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-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B FYN 1221/4885MAP4K4 2403/4885MINK1 1391/4885

“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.

Send feedback