SCHEMBL4361994

SCHEMBL4361994

Cc1ccc(S(=O)(=O)OCC2COc3ccc4[nH]ccc4c3O2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.43
HTR1A P08908 6/20 0.43
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.36
CA2 P00918 1/20 0.34
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
HTR2B P41595 3/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6196047 1.00 DRD2 (0.43) DRD2HTR1ALMNASMN1; SMN2ALDH1A1
SCHEMBL6631298 1.00 DRD2 (0.43) DRD2HTR1ALMNASMN1; SMN2ALDH1A1
SCHEMBL6631890 0.84 HTR1A (0.40) DRD2HTR1ALMNASMN1; SMN2ALDH1A1
SCHEMBL6630215 0.84 HTR1A (0.40) DRD2HTR1ALMNASMN1; SMN2ALDH1A1
SCHEMBL7677439 0.84 LMNA (0.37) DRD2HTR1ALMNASMN1; SMN2ALDH1A1
SCHEMBL6768907 0.84 LMNA (0.37) DRD2HTR1ALMNASMN1; SMN2ALDH1A1
SCHEMBL6768901 0.84 LMNA (0.37) DRD2HTR1ALMNASMN1; SMN2ALDH1A1
SCHEMBL6321164 0.82 LMNA (0.38) DRD2HTR1ALMNASMN1; SMN2ALDH1A1
SCHEMBL6322120 0.82 LMNA (0.38) DRD2HTR1ALMNASMN1; SMN2ALDH1A1
SCHEMBL7679738 0.82 LMNA (0.42) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans WYETH (US) 2009-02-12 US disclosed
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans WYETH (US) 2009-02-12 US disclosed
US-7479500-B2 Antidepressant piperidine derivatives of heterocyclefused benzodioxans WYETH (US) 2009-01-20 US disclosed
US-7419986-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-09-02 US disclosed
US-7419986-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-09-02 US disclosed
US-7381723-B2 Azabicyclylmethyl derivatives of 7,8-dihydro-1,6,9,-trioxa-3-aza-cyclopenta[a]naphthalene as 5-HT1A antagonists WYETH (US) 2008-06-03 US disclosed
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 US disclosed
US-7335666-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-02-26 US disclosed
US-7335666-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-02-26 US disclosed
EP-1856126-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES Wyeth a Corporation of the State of Delaware (US) 2007-11-21 EP disclosed
US-20010008903-A1 Therapeutic agents BIRCH ALAN MARTIN (GB) 2001-07-19 US disclosed
US-6218405-B1 THERAPY OF CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS DEPRESSION, ANXIETY, PSYCHOSES, TARDIVE DYSKINESIA, PARKINSON'S DISEASE, OBESITY, HYPERTENSION, TOURETTE'S SYNDROME, SEXUAL DYSFUNCTION, DRUG ADDICTION, DRUG ABUSE KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-17 US disclosed
US-6201004-B1 CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL, EATING, CARDIOVASCULAR, BRAIN, AND GASTROINTESTINAL DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 2001-03-13 US disclosed
US-6107310-A PSYCHOLOGICAL DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 2000-08-22 US disclosed
EP-0966470-A1 DIOXINO DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1999-12-29 EP disclosed
EP-0948499-A1 HETEROARYLSULFONAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KNOLL AKTIENGESELLSCHAFT (DE) 1999-10-13 EP disclosed
EP-0876372-A1 HETEROARYLCARBOXAMIDE DERIVATIVES KNOLL AKTIENGESELLSCHAFT (DE) 1998-11-11 EP disclosed
WO-1998040386-A1 DIOXINO DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1998-09-17 WO disclosed
WO-1998029415-A1 HETEROARYLSULFONAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-09 WO disclosed
WO-1997023485-A1 HETEROARYLCARBOXAMIDE DERIVATIVES KNOLL AKTIENGESELLSCHAFT (DE) 1997-07-03 WO 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-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C DRD2 147/4885HTR1A 10/4885LMNA 4524/4885
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans HTR5A, OPRD1, CRH DRD2 4/4885HTR1A 39/4885LMNA 1546/4885
US-20010008903-A1 Therapeutic agents GPR119, SNCA, HTR2B DRD2 94/4885HTR1A 5/4885LMNA 4574/4885

“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.