SCHEMBL46644

SCHEMBL46644

CSc1nc(C)c(CC(=O)O)s1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
PTGDR2 Q9Y5Y4 5/20 0.38
GAA P10253 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.34
PPARD Q03181 2/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
FFAR1 O14842 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33

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
SCHEMBL10360134 0.87 PTGDR2 (0.39) LMNAPTGDR2GAAL3MBTL1POLB
SCHEMBL3731990 0.84 PTGDR2 (0.37) LMNAPTGDR2GAAL3MBTL1POLB
SCHEMBL9749252 0.83 GAA (0.51) LMNAPTGDR2GAAL3MBTL1POLB
SCHEMBL10691191 0.83 ALDH1A1 (0.40) LMNAPTGDR2GAAL3MBTL1POLB
SCHEMBL11120071 0.81 GAA (0.36) LMNAPTGDR2GAAL3MBTL1POLB
SCHEMBL10794190 0.81 ITGB3 (0.39) LMNAGAAALDH1A1
SCHEMBL10689934 0.81 LMNA (0.40) LMNAGAAL3MBTL1POLBKDM4E
SCHEMBL10688579 0.80 LDHA (0.40) PTGDR2GAAL3MBTL1POLBMAPT
SCHEMBL10694025 0.80 APEX1 (0.53) GAAL3MBTL1POLBKDM4EALDH1A1
SCHEMBL10688546 0.79 PPARA (0.43) PTGDR2GAAL3MBTL1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4463173-A ANTIBIOTIC, BACTERICIDE ICI PHARMA (FR) 1984-07-31 US claimed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP claimed
EP-1408093-B1 COLORED IMAGE-FORMING COMPOSITIONS CONTAINING PHTHALOCYANINE COMPOUND, INKS, INKJET INKS, INKJET RECORDING METHOD AND METHOD OF IMPROVING TOLERANCE TO DECOLORATION DUE TO OZONE GAS FUJIFILM CORP (JP) 2018-02-21 EP disclosed
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
US-9301951-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-04-05 US disclosed
US-9301951-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-04-05 US disclosed
US-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
US-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 WO disclosed
EP-0346465-B1 1-CARBOXY-1-VYNILOXYIMINOAMINOTHIAZOLE CEPHALOSPORING DERIVATIVES AND PROCESS FOR THEIR PREPARATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-11 EP disclosed
US-5225406-A Antibiotics BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
US-5084453-A Antibiotics, bactericides BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-01-28 US disclosed
EP-0346465-A1 1-CARBOXY-1-VYNILOXYIMINOAMINOTHIAZOLE CEPHALOSPORING DERIVATIVES AND PROCESS FOR THEIR PREPARATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-12-20 EP disclosed
US-4762848-A IMMUNE SYSTEM STIMULANTS, CYTOSTATIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed
US-4463173-A ANTIBIOTIC, BACTERICIDE ICI PHARMA (FR) 1984-07-31 US disclosed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP disclosed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 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 (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-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 LMNA 2948/4885PTGDR2 2337/4885GAA 520/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 LMNA 2948/4885PTGDR2 2337/4885GAA 520/4885

“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.