SCHEMBL4076401

SCHEMBL4076401

CS(=O)(=O)Oc1ccc(/C=C/C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.64
ATM Q13315 1/20 0.64
HCAR2 Q8TDS4 2/20 0.52
CA12 O43570 1/20 0.52
AKR1B10 O60218 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
ESR1 P03372 1/20 0.52
CA3 P07451 1/20 0.52
PKM P14618 1/20 0.52
TYR P14679 1/20 0.52
AKR1B1 P15121 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
DPP4 P27487 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
ESR2 Q92731 1/20 0.52
CA14 Q9ULX7 1/20 0.52

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
SCHEMBL4076403 1.00 THRB (0.64) THRBATMHCAR2CA12AKR1B10
SCHEMBL21240913 0.88 F3 (0.62) THRBATMCA2TYRHDAC3
SCHEMBL6041181 0.84 THRB (0.61) THRBATMHCAR2CA12AKR1B10
SCHEMBL1876901 0.84 THRB (0.61) THRBATMHCAR2CA12AKR1B10
SCHEMBL28338688 0.83 THRB (0.60) THRBATMHCAR2CA12AKR1B10
SCHEMBL27776070 0.83 CYP3A4 (0.68) PKMMAPK1HDAC3HDAC4HDAC1
SCHEMBL27821477 0.83 CYP3A4 (0.68) PKMMAPK1HDAC3HDAC4HDAC1
SCHEMBL28338676 0.82 THRB (0.58) THRBATMHCAR2CA12AKR1B10
SCHEMBL5216755 0.81 THRB (0.57) THRBATMHCAR2CA12AKR1B10
SCHEMBL5216742 0.81 THRB (0.57) THRBATMHCAR2CA12AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598293-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2009-10-06 US disclosed
US-7598293-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2009-10-06 US disclosed
US-7598293-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2009-10-06 US disclosed
US-7314889-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2008-01-01 US disclosed
US-7314889-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2008-01-01 US disclosed
US-7314889-B2 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES, INC. (US) 2008-01-01 US disclosed
EP-1474419-B1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK AS (DK) 2007-09-05 EP disclosed
EP-1474419-B1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK AS (DK) 2007-09-05 EP disclosed
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LIMITED 2007-06-21 US disclosed
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LIMITED 2007-06-21 US disclosed
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LIMITED 2007-06-21 US disclosed
US-7101898-B2 For therapy of allergic rhinitis, ulcer or anorexia, diabetes, Alzheimer's disease, narcolepsy or attention deficit disorder NOVO NORDISK A/S (DK) 2006-09-05 US disclosed
EP-1474419-A1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
EP-1453795-A2 ESTERS AND AMIDES AS PPAR-ALPHA AGONISTS Dr. Reddy's Laboratories Ltd. (IN) 2004-09-08 EP disclosed
US-20030229083-A1 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED 2003-12-11 US disclosed
US-20030195190-A1 Amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes HIGH POINT PHARMACEUTICALS, LLC 2003-10-16 US disclosed
WO-2003064411-A1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK A/S (DK) 2003-08-07 WO disclosed
WO-2003048116-A2 ESTERS AND AMIDES AS PPAR-ALPHA AGONISTS ____________ DR. REDDY'S LABORATORIES LTD. (IN) 2003-06-12 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-20030195190-A1 Amides of aminoalkyl-substituted azetidines, pyrrolidines, piperidines and azepanes HRH3, HRH2, HRH4 THRB 835/4885ATM 2673/4885HCAR2 6/4885
US-20030229083-A1 Compounds and their use in medicine, process for their preparation and pharmaceutical compositions containing them GPR119, LIPA, PCSK9 THRB 742/4885ATM 3355/4885HCAR2 1501/4885
US-20070142470-A1 COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LIPA, PCSK9, GPR119 THRB 674/4885ATM 3297/4885HCAR2 1466/4885

“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.