SCHEMBL6205818

SCHEMBL6205818

COc1ccc(C(O)OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
AOC3 Q16853 3/20 0.50
SLC2A1 P11166 1/20 0.50
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ACP3 P15309 1/20 0.46
ACHE P22303 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 1/20 0.43
LTA4H P09960 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
SCHEMBL18682508 0.94 ESR2 (0.54) CA12CA1CA2CA7CA9
SCHEMBL9979794 0.87 AOC3 (0.34) AOC3SLC2A1TSHRESR2
SCHEMBL13651984 0.80 KMT2A (0.47) ALDH1A1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL19728209 0.80 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL19728201 0.80 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL435441 0.80 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL3695690 0.80 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL120187 0.80 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL11938484 0.80 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL11938486 0.80 CA1 (0.58) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106317176-B Double indoles-tripeptide derivatives, synthesis, antithrombotic acitivity and the application for preparing antithrombotic agents 首都医科大学 2019-07-26 CN claimed
US-9884826-B2 Sulfonamide compounds and uses as TNAP inhibitors SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-02-06 US disclosed
US-9796680-B2 Glucocerebrosidase modulators and uses thereof ALECTOS THERAPEUTICS INC. (CA) 2017-10-24 US disclosed
US-20170029379-A1 GLUCOCEREBROSIDASE MODULATORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2017-02-02 US disclosed
CN-102659837-B Solanesol phosphamide derivatives and their preparation method and use UNIV SHIJIAZHUANG 2015-07-15 CN disclosed
CN-102659841-B Polyphenol phosphamide derivative, and preparation method and application thereof UNIV SHIJIAZHUANG 2015-03-25 CN disclosed
WO-2007092213-A2 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 WO disclosed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 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 (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-20170029379-A1 GLUCOCEREBROSIDASE MODULATORS AND USES THEREOF GBA1, GAA, GBA2 CA12 4241/4885CA1 4240/4885CA2 3993/4885

“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.