SCHEMBL4851435

SCHEMBL4851435

CC(COc1ccccc1)OS(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
MAOA P21397 1/20 0.47
PTGS1 P23219 1/20 0.47
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
CYP2D6 P10635 1/20 0.42
SCN4A P35499 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
KAT6A Q92794 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
NR3C2 P08235 1/20 0.39

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
SCHEMBL9713465 0.94 LTA4H (0.47) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL9713456 0.94 LTA4H (0.47) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL9451349 0.84 LMNA (0.50) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL2160496 0.84 LMNA (0.55) LMNAMAOAPTGS1MTNR1AMTNR1B
SCHEMBL6505929 0.83 CA12 (0.40) LMNACA12CA1CA2CA7
SCHEMBL6505934 0.83 CA12 (0.40) LMNACA12CA1CA2CA7
SCHEMBL28903042 0.83 CYP1A2 (0.42) SCN4ACA1CA2CA9
SCHEMBL13020440 0.82 AGXT (0.45) CA1CA2CA9
SCHEMBL6492324 0.82 MTNR1A (0.52) LMNAMTNR1AMTNR1B
SCHEMBL30189558 0.82 AGXT (0.45) CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 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-20050288316-A1 Beta-carbolines as growth hormone secretagogue receptor (GHSR) antagonists BIOVITRUM AB (SE) 2005-12-29 US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
US-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders MERCK SHARP & DOHME B.V. (NL) 2005-07-14 US disclosed
WO-2005048916-A2 TETRAHYDROSPIRO-BETA-CARBOLINE-1,3 '-PYRROLIDINE DERIVATIVES AND THEIR USE IN GHSR-RELATED DISORDERS BIOVITRUM AB (SE) 2005-06-02 WO disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed
US-4127661-A VASODILATOR SERDEX - SOCIETE D'ETUDES, DE RECHERCHES, DE DIFFUSION ET D'EXPLOITATION (FR) 1978-11-28 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 (5 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-20050288316-A1 Beta-carbolines as growth hormone secretagogue receptor (GHSR) antagonists GHSR, GHRHR, PRLHR LMNA 3721/4885MAOA 3250/4885PTGS1 1982/4885
US-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 LMNA 1921/4885MAOA 152/4885PTGS1 211/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 LMNA 1921/4885MAOA 152/4885PTGS1 211/4885
US-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders TPH1, HTR1A, HTR1D LMNA 1334/4885MAOA 56/4885PTGS1 1536/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE LMNA 2218/4885MAOA 54/4885PTGS1 417/4885

“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.