SCHEMBL20177129

SCHEMBL20177129

Nc1cc(N2CCCS2(=O)=O)ccn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 3/20 0.44
POLB P06746 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA6 P23280 1/20 0.43
OPRK1 P41145 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CDK2 P24941 1/20 0.39
UTRN P46939 1/20 0.39
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
TP53 P04637 4/20 0.39
KCNH2 Q12809 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL13745531 0.74 POLB (0.56) POLBCA1CA2CA6OPRK1
SCHEMBL20177134 0.74 KCNH2 (0.46) PIK3C3KCNH2
SCHEMBL17233437 0.74 PIK3C3 (0.39) PIK3C3CDK2KCNH2
SCHEMBL3542897 0.73 CA1 (0.58) POLBCA1CA2CA6OPRK1
SCHEMBL13492110 0.72 CA1 (0.47) POLBCA1CA2CA6OPRK1
SCHEMBL1097561 0.71 CHKA (0.52) POLBTP53MAPT
SCHEMBL16212228 0.71 HRH4 (0.47) POLBTP53MAPT
SCHEMBL5847761 0.69 HRH4 (0.54) POLBTP53MAPT
SCHEMBL6262576 0.69 HRH4 (0.54) POLBTP53MAPT
SCHEMBL12209941 0.69 POLB (0.57) POLBCA1CA2CA6OPRK1

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-20180141940-A1 SALT FORM AND CRYSTAL FORM OF 1,2,5-THIADIAZOLIDIN-1,1-DIOXIDE, PREPARATION METHOD THEREOF AND INTERMEDIATE JIANGSU KANION PARMACEUTICAL CO. LTD (CN) 2018-05-24 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-20180141940-A1 SALT FORM AND CRYSTAL FORM OF 1,2,5-THIADIAZOLIDIN-1,1-DIOXIDE, PREPARATION METHOD THEREOF AND INTERMEDIATE SPIN1, SULT1A1, NAP1L1 PIK3C3 1337/4885POLB 2878/4885CA1 152/4885

“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.