SCHEMBL3273935

SCHEMBL3273935

O=C(O)CCNCC=Cc1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.57
S1PR3 Q99500 2/20 0.57
AKR1B10 O60218 2/20 0.47
AKR1B1 P15121 2/20 0.47
MAOB P27338 1/20 0.47
PTGS2 P35354 1/20 0.47
GLO1 Q04760 1/20 0.47
CAMK2A Q9UQM7 1/20 0.47
TYR P14679 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ESR1 P03372 1/20 0.44
CA3 P07451 1/20 0.44
PKM P14618 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
DPP4 P27487 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44

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
SCHEMBL7427930 0.87 S1PR1 (0.64) S1PR1S1PR3MAOBALDH1A1
SCHEMBL7433097 0.87 S1PR1 (0.64) S1PR1S1PR3MAOBALDH1A1
SCHEMBL18979186 0.78 AKR1B10 (0.52) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL9574442 0.78 AKR1B10 (0.52) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL11023328 0.74 ESR1 (0.40) S1PR1S1PR3AKR1B10AKR1B1MAOB
SCHEMBL4499317 0.74 S1PR1 (0.51) S1PR1S1PR3MAOBMMP1MMP2
SCHEMBL9502575 0.73 PAM (0.70) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL1616362 0.73 PAM (0.70) AKR1B10AKR1B1MAOBPTGS2GLO1
Hydrochloric Acid SCHEMBL947492 0.73 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL31627390 0.73 PRMT1 (0.64) S1PR1S1PR3ESR1ESR2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399213-B2 Method for monitoring intracellular tyrosine phosphatase activity UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-03-19 US claimed
WO-2010039899-A2 METHOD FOR MONITORING INTRACELLULAR TYROSINE PHOSPHATASE ACTIVITY UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2010-04-08 WO claimed
US-20100086957-A1 METHOD FOR MONITORING INTRACELLULAR TYROSINE PHOSPHATASE ACTIVITY UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2010-04-08 US claimed
US-8399213-B2 Method for monitoring intracellular tyrosine phosphatase activity UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-03-19 US disclosed
WO-2010039899-A2 METHOD FOR MONITORING INTRACELLULAR TYROSINE PHOSPHATASE ACTIVITY UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2010-04-08 WO disclosed
US-20100086957-A1 METHOD FOR MONITORING INTRACELLULAR TYROSINE PHOSPHATASE ACTIVITY UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2010-04-08 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 (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-20100086957-A1 METHOD FOR MONITORING INTRACELLULAR TYROSINE PHOSPHATASE ACTIVITY PTPRCAP, PTPRC, PTPA S1PR1 1890/4885S1PR3 1850/4885AKR1B10 4164/4885

“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.