SCHEMBL2139145

SCHEMBL2139145

CCOC(Cc1cccs1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.60
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52
RAB9A P51151 1/20 0.49
CTSC P53634 1/20 0.48
PPARA Q07869 11/20 0.48
PPARG P37231 7/20 0.47
PPARD Q03181 2/20 0.45
ALDH1A1 P00352 2/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL811268 1.00 CYP2C19 (0.60) CYP2C19SLC1A3SLC1A2SLC1A1RAB9A
SCHEMBL934056 0.78 CYP2C19 (0.70) CYP2C19SLC1A3SLC1A2SLC1A1RAB9A
SCHEMBL11161107 0.76 CYP2C19 (0.47) CYP2C19SLC1A3SLC1A2SLC1A1RAB9A
SCHEMBL1766985 0.76 CYP2C19 (1.00) CYP2C19SLC1A3SLC1A2SLC1A1RAB9A
SCHEMBL2400082 0.76 CYP2C19 (0.66) CYP2C19SLC1A3SLC1A2SLC1A1RAB9A
SCHEMBL17762784 0.76 CYP2C19 (0.66) CYP2C19SLC1A3SLC1A2SLC1A1RAB9A
SCHEMBL20543720 0.75 CTSC (0.55) CYP2C19SLC1A3SLC1A2SLC1A1RAB9A
SCHEMBL1670312 0.75 PPARA (0.69) PPARAPPARGPPARD
SCHEMBL288244 0.75 CYP2C19 (0.70) CYP2C19SLC1A3SLC1A2SLC1A1RAB9A
SCHEMBL16683907 0.75 CYP2C19 (0.70) CYP2C19SLC1A3SLC1A2SLC1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906669-B2 Metallocene-based phosphorus chiral phosphines SOLVIAS AG (CH) 2011-03-15 US disclosed
EP-1844061-B1 METALLOCENE-BASED PHOSPHORUS CHIRAL PHOSPHINES SOLVIAS AG (CH) 2010-08-04 EP disclosed
US-20090137824-A1 METALLOCENE-BASED PHOSPHORUS CHIRAL PHOSPHINES PHOENIX CHEMICALS LTD (GB) 2009-05-28 US disclosed
US-20080242876-A1 Process For the Manufacture of Substituted Propionic Acids PHOENIX CHEMICALS LTD. (GB) 2008-10-02 US disclosed
EP-1844061-A1 METALLOCENE-BASED PHOSPHORUS CHIRAL PHOSPHINES Phoenix Chemicals Limited (GB) 2007-10-17 EP disclosed
EP-1838654-A1 PROCESS FOR THE MANUFACTURE OF SUBSTITUTED PROPIONIC ACIDS Phoenix Chemicals Limited (GB) 2007-10-03 EP disclosed
WO-2006075166-A1 METALLOCENE-BASED PHOSPHORUS CHIRAL PHOSPHINES PHOENIX CHEMICALS LTD. (GB) 2006-07-20 WO disclosed
WO-2006075177-A1 PROCESS FOR THE MANUFACTURE OF SUBSTITUTED PROPIONIC ACIDS PHOENIX CHEMICALS LTD. (GB) 2006-07-20 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 (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-20090137824-A1 METALLOCENE-BASED PHOSPHORUS CHIRAL PHOSPHINES POLL, ZNF207, ZC3HAV1L CYP2C19 1029/4885SLC1A3 2731/4885SLC1A2 2272/4885
US-20080242876-A1 Process For the Manufacture of Substituted Propionic Acids AS3MT, PPA1, AGPS CYP2C19 733/4885SLC1A3 278/4885SLC1A2 125/4885

“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.