Sugi Predict

Sugi Predict / Compounds / SCHEMBL4757222

SCHEMBL4757222

SCHEMBL4757222

CCS(=O)(=O)Cc1csc(NC(=O)c2cc(Cl)c(O)cc2C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 3/20 0.43
▸ MAPT P10636 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ PDE1A P54750 1/20 0.40
▸ PDE1B Q01064 1/20 0.40
▸ PDE1C Q14123 1/20 0.40
▸ ALDH1A1 P00352 7/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL16257639 0.83 PDE5A (0.40) PDE5AMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4757003 0.81 PDE5A (0.45) PDE5AMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4757115 0.79 MAPT (0.38) MAPTCYP1A2CYP2C19CYP3A4NPC1
SCHEMBL4757054 0.74 PDE5A (0.47) PDE5AMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL16257684 0.73 ALDH1A1 (0.41) PDE5AMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4756724 0.70 NPC1 (0.45) PDE5ACYP1A2CYP2C9CYP2C19NPC1
SCHEMBL12974329 0.68 NPC1 (0.63) PDE5ANPC1PDE1APDE1BPDE1C
SCHEMBL4757274 0.68 NPC1 (0.39) PDE5ANPC1ALDH1A1MAPK1TP53
SCHEMBL3513099 0.68 ALDH1A1 (0.50) PDE5ACYP2C9CYP2C19NPC1ALDH1A1
SCHEMBL4756940 0.67 GPR27 (0.40) MAPTCYP1A2CYP2C19CYP3A4NPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895752-B2 Alkylsulfonyl-substituted thiazolide compounds ROMARK LABORATORIES L.C. (US) 2014-11-25 — — US disclosed
US-8895752-B2 Alkylsulfonyl-substituted thiazolide compounds ROMARK LABORATORIES L.C. (US) 2014-11-25 — — US disclosed
US-20120122939-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES, L.C. 2012-05-17 — — US disclosed
US-8124632-B2 Alkylsulfonyl-substituted thiazolide compounds ROMARK LABORATORIES, L.C. (US) 2012-02-28 — — US disclosed
US-20090036467-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES L.C. 2009-02-05 — — 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 (2 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-20120122939-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, AADAC PDE5A 4694/4885MAPT 4288/4885CYP1A2 2853/4885
US-20090036467-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, AADAC PDE5A 4694/4885MAPT 4288/4885CYP1A2 2853/4885

“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.