SCHEMBL14965675

SCHEMBL14965675

N#Cc1cccc(C(O)C(O)C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.50
GSK3B P49841 2/20 0.45
LMNA P02545 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TNF P01375 1/20 0.42
FOLH1 Q04609 1/20 0.42
ADRA1D P25100 4/20 0.41
ADRA1A P35348 2/20 0.41
ADRA2B P18089 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
XDH P47989 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
ADRA1B P35368 1/20 0.41
GPR139 Q6DWJ6 1/20 0.40
ADAMTS4 O75173 1/20 0.40
MGLL Q99685 1/20 0.40
S1PR3 Q99500 1/20 0.40
HPGDS O60760 1/20 0.40

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
SCHEMBL11601220 0.84 ENPP2 (0.48) GRM4GSK3BTNFADRA1DADRA1A
SCHEMBL11601064 0.82 TSHR (0.48) GRM4GSK3BLMNATNFGPR139
SCHEMBL28351722 0.81 SRC (0.52) GRM4GSK3BLMNATNFFOLH1
SCHEMBL6490821 0.79 GSK3B (0.56) GRM4GSK3BLMNATNFFOLH1
SCHEMBL16222088 0.79 PDCD1 (0.48) GRM4GSK3BTNFCNR2GPR139
SCHEMBL1022809 0.79 ENPP2 (0.44) GRM4GSK3BTNFADRA1DADRA1A
SCHEMBL14965641 0.79 MAPT (0.43) GSK3BLMNAKDM4EADRA1DADRA2B
SCHEMBL7361175 0.79 MMP12 (0.51) GRM4GSK3BLMNAKDM4ETNF
SCHEMBL18116486 0.78 GRM4 (0.54) GRM4GSK3BKDM4ETNFFOLH1
SCHEMBL6164919 0.78 GRM4 (0.48) GRM4GSK3BLMNATNFFOLH1

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-9505733-B2 Single step enantioselective process for the preparation of 3-substituted chiral phthalides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-29 US disclosed
US-20150299154-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-10-22 US disclosed
US-9073887-B2 Single step enantioselective process for the preparation of 3-substituted chiral phthalides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-07-07 US disclosed
US-20140330027-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-11-06 US disclosed
WO-2013072830-A9 A SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-02-20 WO disclosed
WO-2013072830-A1 A SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-05-23 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-20140330027-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES PPOX, NFE2L2, CBR1 GRM4 2673/4885GSK3B 1020/4885LMNA 2962/4885
US-20150299154-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES PPOX, NFE2L2, CBR1 GRM4 2673/4885GSK3B 1020/4885LMNA 2962/4885

“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.