SCHEMBL1815167

SCHEMBL1815167

O=C(O)c1ccc(S(=O)(=O)Cl)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
TSHR P16473 1/20 0.53
KDM4E B2RXH2 6/20 0.53
HPGD P15428 6/20 0.53
HSD17B10 Q99714 5/20 0.53
PTPN1 P18031 3/20 0.50
MAPT P10636 2/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.50
ESR2 Q92731 1/20 0.50
HNF4A P41235 1/20 0.47
ACMSD Q8TDX5 1/20 0.47
MCL1 Q07820 3/20 0.44
ABL1 P00519 1/20 0.44

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
SCHEMBL1020899 0.85 ALDH1A1 (0.68) ALDH1A1CA12CA1CA2CA7
SCHEMBL29707980 0.85 ALDH1A1 (0.68) ALDH1A1CA12CA1CA2CA7
SCHEMBL11582938 0.84 L3MBTL1 (0.50) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL1593800 0.84 ALDH1A1 (0.72) ALDH1A1CA12CA1CA2CA7
SCHEMBL10937008 0.83 ALDH1A1 (0.49) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL7226894 0.82 ALDH1A1 (0.70) ALDH1A1CA12CA1CA2CA7
SCHEMBL27530309 0.82 ALDH1A1 (0.57) ALDH1A1CA12CA1CA2CA7
SCHEMBL27548831 0.82 ALDH1A1 (0.70) ALDH1A1CA12CA1CA2CA7
Hydrochloric Acid SCHEMBL10767073 0.82 L3MBTL1 (0.49) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL9516048 0.81 TSHR (0.57) ALDH1A1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947851-B2 1,1′-(1,2-ethynediyl)bis-benzene derivatives as PTP 1-B inhibitors MERCK SERONO SA (CH) 2011-05-24 US disclosed
US-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors MERCK SERONO SA (CH) 2009-01-29 US disclosed
EP-1768694-A1 PHAMACEUTICAL PREPARATIONS COMPRISING INSULIN NOVO NORDISK A/S (DK) 2007-04-04 EP disclosed
EP-1756081-A1 1,1'-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2007-02-28 EP disclosed
US-7008636-B2 2,3,5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia WYETH (US) 2006-03-07 US disclosed
WO-2006005683-A1 PHAMACEUTICAL PREPARATIONS COMPRISING INSULIN NOVO NORDISK A/S (DK) 2006-01-19 WO disclosed
WO-2005097773-A1 1,1’-(1,2-ETHYNEDIYL)BIS-BENZENE DERIVATIVES AS PTP 1-B INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-10-20 WO disclosed
US-20040214869-A1 2,3,5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia WYETH 2004-10-28 US disclosed
US-6765021-B2 ANTIDIABETIC AGENTS WYETH 2004-07-20 US disclosed
US-6683107-B2 THERAPY OF METABOLISM DISORDERS WYETH 2004-01-27 US disclosed
US-6063815-A TREATMENT OF METABOLIC DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-16 US disclosed
WO-1999061410-A1 2,3,5-SUBSTITUTED BIPHENYLS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-02 WO disclosed
WO-1999058520-A1 BIPHENYL SULFONYL ARYL CARBOXYLIC ACIDS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-18 WO disclosed
WO-1999058522-A1 NAPHTHO[2,3-B]HETEROAR-4-YL DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-18 WO disclosed
US-5627285-A HYPOTENSIVE AGENTS AND TREATMENT OF ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1997-05-06 US disclosed
US-5530016-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
US-5475016-A Hypotensive, anticholesterol agents BAYER AKTIENGESELLSCHAFT (DE) 1995-12-12 US disclosed
US-5364942-A Treatment of hypertension and atherosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1994-11-15 US disclosed
US-5318980-A Antihypertensive and antiatherosclerotic agents BAYER AKTIENGESELLSCHAFT (DE) 1994-06-07 US disclosed
US-5254543-A Hypotensive, anticholesterol agents BAYER AKTIENGESELLSCHAFT (DE) 1993-10-19 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 (2 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-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors PTPRS, PTPRZ1, PTP4A1 ALDH1A1 378/4885CA12 3806/4885CA1 2548/4885
US-20040214869-A1 2,3,5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, IRS1 ALDH1A1 3544/4885CA12 3071/4885CA1 4108/4885

“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.