Sugi Predict

Sugi Predict / Compounds / SCHEMBL2284428

SCHEMBL2284428

SCHEMBL2284428

CS(=O)(=O)OCCc1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.49
▸ AOC3 Q16853 1/20 0.46
▸ CHRM2 P08172 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ CYP3A4 P08684 2/20 0.43
▸ IDO1 P14902 2/20 0.43
▸ AGXT P21549 2/20 0.43
▸ PNMT P11086 2/20 0.43
▸ HTR3E A5X5Y0 1/20 0.42
▸ HTR3B O95264 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ HTR3D Q70Z44 1/20 0.42
▸ HTR3C Q8WXA8 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ DAO P14920 2/20 0.41
▸ BACE1 P56817 1/20 0.41

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
SCHEMBL5584320 0.90 TAAR1 (0.46) TAAR1AOC3CHRM2CHRM1CHRM3
SCHEMBL4851635 0.81 TAAR1 (0.50) TAAR1IDO1CA1CA2CA9
SCHEMBL15042385 0.81 CA2 (0.43) CA1CA2CA9
SCHEMBL4550868 0.81 CA1 (0.40) CA1CA2CA9
SCHEMBL858115 0.80 TAAR1 (0.49) TAAR1IDO1AGXTCA1CA2
SCHEMBL1246000 0.80 CYP4F2 (0.47) CA1CA2CA9BACE1
SCHEMBL2881422 0.80 IDO1 (0.43) IDO1CA1CA2CA9
SCHEMBL16666444 0.80 CA1 (0.42) TAAR1CA1CA2CA9
SCHEMBL2878336 0.80 TAAR1 (0.49) TAAR1IDO1AGXTCA1CA2
SCHEMBL9572665 0.80 CA1 (0.52) TAAR1CYP3A4IDO1AGXTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200055839-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2020-02-20 — — US disclosed
EP-3565809-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION ViiV Healthcare UK (No.5) Limited (GB) 2019-11-13 — — EP disclosed
WO-2018127800-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-07-12 — — WO disclosed
US-9981909-B2 Serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 — — US disclosed
WO-2017001733-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2017-01-05 — — WO disclosed
EP-3097101-A1 ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-11-30 — — EP disclosed
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-18 — — US disclosed
WO-2015112465-A1 ISOQUINOLINE DERIVATIVES AS MGAT2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-30 — — WO disclosed
US-20140038943-A1 SEROTONIN RECEPTOR MODULATOR JANSSEN PHARMACEUTICA NV (US) 2014-02-06 — — US disclosed
US-8642583-B2 Serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-02-04 — — US disclosed
US-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-05-03 — — US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 — — US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 — — US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 — — US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 — — US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 — — US disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 — — EP disclosed
EP-0714894-A1 3-(1,2,3,6-tetrahydro-(1-alkylenearyl)-4-pyridinyl)- and 3-(1-alkylenearyl)-4-piperidinyl-1h-indoles: new 5-HT1f agonists ELI LILLY AND COMPANY (US) 1996-06-05 — — EP disclosed
US-5521197-A ANALGESICS USING SEROTONIN ANTAGONIST ELI LILLY AND COMPANY (US) 1996-05-28 — — US disclosed
CN-88102069-A The indazole insecticides that replaces — 1988-10-26 — — CN 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 (7 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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 TAAR1 634/4885AOC3 886/4885CHRM2 9/4885
US-20140038943-A1 SEROTONIN RECEPTOR MODULATOR HTR2C, HTR2A, HTR1A TAAR1 131/4885AOC3 2780/4885CHRM2 253/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 TAAR1 634/4885AOC3 886/4885CHRM2 9/4885
US-20070099955-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS DRD3, DRD2, DRD4 TAAR1 20/4885AOC3 511/4885CHRM2 79/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE TAAR1 1727/4885AOC3 516/4885CHRM2 34/4885
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A TAAR1 129/4885AOC3 2769/4885CHRM2 275/4885
US-20200055839-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION TYMP, TYMS, DUT TAAR1 3997/4885AOC3 2158/4885CHRM2 4034/4885

“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.