SCHEMBL271202

SCHEMBL271202

Cc1ccc(S(=O)(=O)n2cnc(CO)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ALDH3A1 P30838 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
NOD1 Q9Y239 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
GRM4 Q14833 1/20 0.41
MEN1 O00255 1/20 0.40
AGTR1 P30556 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PTGS2 P35354 1/20 0.40
CA9 Q16790 1/20 0.40
PKM P14618 2/20 0.39
NOTUM Q6P988 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
SCHEMBL5591220 0.88 GAA (0.48) GAAKMT2AMAPTCA1CA2
Hydrochloric Acid SCHEMBL8507952 0.88 GAA (0.43) GAAKMT2AMAPTCA1CA2
SCHEMBL13118095 0.85 GAA (0.50) GAAKMT2AMAPTCA1CA2
SCHEMBL8914463 0.85 GAA (0.50) GAAKMT2AMAPTCA1CA2
SCHEMBL4888192 0.84 PTGDR2 (0.49) GAAKMT2AMAPTCA1CA2
SCHEMBL23482883 0.82 GAA (0.48) GAAKMT2AMAPTCA1CA2
SCHEMBL11615559 0.82 GAA (0.48) GAAKMT2AMAPTCA1CA2
SCHEMBL2083655 0.82 GAA (0.48) GAAKMT2AMAPTCA1CA2
SCHEMBL7259816 0.81 GAA (0.47) GAAKMT2AMAPTCA1CA2
SCHEMBL7261526 0.81 MAPT (0.48) GAAKMT2AMAPTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741938-B2 Compounds that are useful for improving pharmacokinetics ABBVIE INC. (US) 2014-06-03 US disclosed
US-20130317071-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBVIE INC (US) 2013-11-28 US disclosed
US-8524753-B2 Compounds that are useful for improving pharmacokinetics ABBVIE INC. (US) 2013-09-03 US disclosed
US-20120184559-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBOTT LABORATORIES (US) 2012-07-19 US disclosed
US-8133892-B2 Compounds that are useful for improving pharmacokinetics ABBOTT LABORATORIES (US) 2012-03-13 US disclosed
US-20100280248-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBOTT LABORATORIES (US) 2010-11-04 US disclosed
US-7786153-B2 Compounds that are useful for improving pharmacokinetics ABBOTT LABORATORIES INC. (US) 2010-08-31 US disclosed
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics ABBVIE INC. 2006-09-07 US disclosed
EP-0873123-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2003-04-09 EP disclosed
EP-0799231-B1 SPIROKETAL DERIVATIVES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME (GB) 1999-03-17 EP disclosed
EP-0873123-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-02-03 EP disclosed
EP-0873123-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-10-28 EP disclosed
US-5747491-A ANALGESICS, ANTIINFLAMMATORY AGENTS, ANTIEMETICS; HEADACHES MERCK SHARP & DOHME LTD. (GB) 1998-05-05 US disclosed
US-5728695-A TACHYKININ ANTAGONISTS USEFUL IN TREATMENT OR PREVENTION OF PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTHERPETIC NEURALGIA MERCK SHARP & DOHME LIMITED (GB) 1998-03-17 US disclosed
WO-1997017070-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-05-15 WO disclosed
EP-0758329-A1 MORPHOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF TACHIKININS MERCK SHARP & DOHME LTD. (GB) 1997-02-19 EP disclosed
WO-1996020197-A1 SPIROKETAL DERIVATIVES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1996-07-04 WO disclosed
WO-1995030674-A1 MORPHOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF TACHIKININS MERCK SHARP & DOHME LIMITED (GB) 1995-11-16 WO disclosed
US-4088667-A ANTIBACTERIAL AGENTS, PHARMACOLOGICAL INTERMEDIATES MERRELL TORAUDE ET COMPAGNIE (FR) 1978-05-09 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 (4 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-20120184559-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 GAA 2003/4885KMT2A 2435/4885MAPT 4570/4885
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics CYP11B1, CYP11B2, CYP7A1 GAA 2003/4885KMT2A 2435/4885MAPT 4570/4885
US-20100280248-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 GAA 2003/4885KMT2A 2435/4885MAPT 4570/4885
US-20130317071-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 GAA 2003/4885KMT2A 2435/4885MAPT 4570/4885

“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.