Sugi Predict

Sugi Predict / Compounds / SCHEMBL333877

SCHEMBL333877

SCHEMBL333877

CS(=O)(=O)c1ncc(C(=O)O)c(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 8/20 0.46
▸ MAPT P10636 8/20 0.46
▸ TLR9 Q9NR96 6/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HTT P42858 3/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ XBP1 P17861 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ LMNA P02545 5/20 0.40
▸ RAB9A P51151 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ MITF O75030 2/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ MEN1 O00255 2/20 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
Hydrochloric Acid SCHEMBL11488412 0.98 TP53 (0.44) TP53MAPTTLR9NPC1ALDH1A1
SCHEMBL10481948 0.86 MAPT (0.46) TP53MAPTTLR9NPC1ALDH1A1
SCHEMBL2970979 0.82 HPGD (0.54) TP53MAPTTLR9NPC1ALDH1A1
Hydrochloric Acid SCHEMBL11472650 0.82 TP53 (0.47) TP53MAPTTLR9NPC1ALDH1A1
Hydrochloric Acid SCHEMBL11488662 0.79 ALDH1A1 (0.39) TP53MAPTTLR9NPC1ALDH1A1
SCHEMBL27535755 0.79 GABRP (0.42) TP53MAPTTLR9NPC1ALDH1A1
SCHEMBL10354639 0.79 MAPT (0.46) TP53MAPTTLR9NPC1ALDH1A1
SCHEMBL1628005 0.79 MAPT (0.67) TP53MAPTTLR9NPC1ALDH1A1
SCHEMBL16824353 0.77 GABRP (0.45) TP53MAPTTLR9NPC1ALDH1A1
SCHEMBL27115344 0.76 ALDH1A1 (0.53) TP53MAPTTLR9NPC1ALDH1A1

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105622638-A Pyrimido or pyridopyridone compound and its preparation method and use GUANGZHOU KANGSHENG BEITE PHARMACEUTICAL CO LTD 2016-06-01 — — CN claimed
CN-105622638-B Pyrimidine or pyridopyridine ketone compounds and its preparation method and application 广州必贝特医药技术有限公司 2018-10-02 — — CN disclosed
CN-105622638-A Pyrimido or pyridopyridone compound and its preparation method and use GUANGZHOU KANGSHENG BEITE PHARMACEUTICAL CO LTD 2016-06-01 — — CN disclosed
US-8865720-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV (BE) 2014-10-21 — — US disclosed
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2014-02-06 — — US disclosed
US-8557825-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-10-15 — — US disclosed
US-8513237-B2 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-08-20 — — US disclosed
US-20120178741-A1 Sulfonylamino-Derivatives As Novel Inhibitors Of Histone Deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-12 — — US disclosed
US-8163733-B2 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-24 — — US disclosed
US-20120088754-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF VAN (BE) 2012-04-12 — — US disclosed
US-4280956-A CONTAINING SULFONAMIDE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 1981-07-28 — — US disclosed
US-4126609-A AZO DYESTUFF WITH A FIBER-REACTIVE GROUP ATTACHED TO A NAPHTHALENE SULPHONIC ACID COMPONENT BAYER AKTIENGESELLSCHAFT (DE) 1978-11-21 — — US disclosed
US-4122079-A Reactive azo dyestuffs from diazotized sulfo-amino naphthalenes and diaminosulfobenzenes BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4118382-A DYES FOR CELLULOSE, WOOL, SILK, POLYAMIDE, AND POLYURETHANE FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1978-10-03 — — US disclosed
US-4089895-A COUPLER FOR AZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1978-05-16 — — US disclosed
US-4065446-A Reactive dyestuffs containing urea alkylene linkage between chromophore and reactive radical BAYER AKTIENGESELLSCHAFT (DT) 1977-12-27 — — US disclosed
US-4049704-A AZO REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-09-20 — — US disclosed
US-3989692-A PHTHALOCYANINE DYES, WOOL, SILK, POLYAMIDES, CELLULOSE BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 — — US disclosed
US-3988310-A FIBER-REACTIVE DYES; CELLULOSE BAYER AKTIENGESELLSCHAFT (DT) 1976-10-26 — — US disclosed
US-3957751-A WATER-SOLUBLE REACTIVE DYESTUFFS OF THE MONOAZO SERIES CONTAINING AN ACTIVE METHYLENE COUPLING COMPONENT HOECHST AKTIENGESELLSCHAFT (DT) 1976-05-18 — — 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 (3 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-20120088754-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 TP53 2786/4885MAPT 4071/4885TLR9 3475/4885
US-20140038979-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 TP53 2786/4885MAPT 4071/4885TLR9 3475/4885
US-20120178741-A1 Sulfonylamino-Derivatives As Novel Inhibitors Of Histone Deacetylase HDAC1, HDAC3, HDAC11 TP53 1967/4885MAPT 3878/4885TLR9 2473/4885

“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.