SCHEMBL2111660

SCHEMBL2111660

O=C(O)c1ccccc1Sc1ccccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.61
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 3/20 0.59
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA4 P22748 2/20 0.59
CA7 P43166 2/20 0.59
CA9 Q16790 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HMGB1 P09429 1/20 0.59
HPGD P15428 1/20 0.59
CA6 P23280 1/20 0.59
NAPRT Q6XQN6 1/20 0.59
CA14 Q9ULX7 1/20 0.59
FNTA P49354 1/20 0.58
FNTB P49356 1/20 0.58
TDP1 Q9NUW8 2/20 0.54
CYP1A2 P05177 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51

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
SCHEMBL1482567 0.89 POLB (0.74) POLBKDM4EALDH1A1CA12CA1
SCHEMBL29888792 0.89 POLB (0.74) POLBKDM4EALDH1A1CA12CA1
SCHEMBL9460748 0.87 POLB (0.71) POLBKDM4EALDH1A1CA12CA1
SCHEMBL23665073 0.87 POLB (0.55) POLBKDM4EALDH1A1CA12CA1
Bicarbonate SCHEMBL11202875 0.85 KDM4E (0.46) POLBKDM4EALDH1A1CA12CA1
SCHEMBL6629741 0.82 SIRT1 (0.65) POLBKDM4EALDH1A1CA12CA1
Tetramethylammonium Ion SCHEMBL9460521 0.82 POLB (0.63) POLBKDM4EALDH1A1CA12CA1
Tetramethylammonium Ion SCHEMBL9460352 0.82 POLB (0.63) POLBKDM4EALDH1A1CA12CA1
SCHEMBL10987023 0.81 HSP90AA1 (0.44) POLBKDM4EALDH1A1CA12CA1
Guanidine SCHEMBL9133806 0.80 POLB (0.61) POLBKDM4EALDH1A1CA12CA1

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-8158623-B2 Heptacyclic compounds and the pharmaceutical uses thereof for preventing and treating diabetes and metabolic syndrome SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2012-04-17 US disclosed
US-20100173905-A1 HEPTACYCLIC COMPOUNDS AND THE PHARMACEUTICAL USES THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLIC SYNDROME SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCE 2010-07-08 US disclosed
EP-2199295-A1 COMPOUNDS WITH 7-MEMBER CYCLE AND THE PHARMACEUTICAL USE THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLISM SYNDROME Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2010-06-23 EP disclosed
CN-101687886-A Seven-membered ring compound and pharmaceutical application thereof in preventing and treating diabetes and metabolic syndrome SHANGHAI INST MATERIA MEDICA 2010-03-31 CN disclosed
CN-1441637-A Compositions for repelling crawling insects BAYER AG (DE) 2003-09-10 CN disclosed
EP-1086079-B1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA A S (CZ) 2003-05-07 EP disclosed
US-6303612-B1 USED AS ANTIINFLAMMATORY AND/OR ANTIASTHMATIC AGENTS LECIVA, A.S. (CZ) 2001-10-16 US disclosed
EP-1086079-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS Leciva, A.S. (CZ) 2001-03-28 EP disclosed
WO-1999067208-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA, A.S. (CZ) 1999-12-29 WO disclosed
EP-0137395-B1 4-(HYDROXYPHENYLTHIO)-BENZOATES CIBA-GEIGY AG (CH) 1987-11-04 EP disclosed
EP-0137395-A2 4-(Hydroxyphenylthio)-benzoates CIBA-GEIGY AG (CH) 1985-04-17 EP 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 (1 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-20100173905-A1 HEPTACYCLIC COMPOUNDS AND THE PHARMACEUTICAL USES THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLIC SYNDROME GPR119, CYP11B1, HSD11B1 POLB 4766/4885KDM4E 4346/4885ALDH1A1 1503/4885

“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.