SCHEMBL5287947

SCHEMBL5287947

O=C(O)CNc1cccc(OCc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.62
CTSV O60911 1/20 0.60
CTSL P07711 1/20 0.60
GRK2 P25098 3/20 0.58
GRK3 P35626 3/20 0.58
GRK5 P34947 2/20 0.58
NR4A2 P43354 1/20 0.57
SIRT2 Q8IXJ6 1/20 0.57
SMPD1 P17405 1/20 0.56
NR1H4 Q96RI1 1/20 0.55
PDK1 Q15118 1/20 0.55
PDK2 Q15119 1/20 0.55
PDK3 Q15120 1/20 0.55
PDK4 Q16654 1/20 0.55
MAOB P27338 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL9795747 0.90 NR4A2 (0.63) FFAR1NR4A2MAOBMEN1KMT2A
SCHEMBL9795592 0.89 NR1H4 (0.59) FFAR1CTSVCTSLGRK2GRK3
SCHEMBL9795603 0.88 PPARA (0.62) FFAR1SMPD1MAOBPKMRAB9A
SCHEMBL8009616 0.87 FFAR1 (0.58) FFAR1CTSVCTSLGRK2GRK3
SCHEMBL10832939 0.87 FFAR1 (0.58) FFAR1CTSVCTSLGRK2GRK3
SCHEMBL16319339 0.84 GRK2 (0.55) FFAR1CTSVCTSLGRK2GRK3
SCHEMBL1799092 0.83 NPC1 (0.61) FFAR1NR4A2MAOBMEN1KMT2A
SCHEMBL28302706 0.83 PDK1 (0.57) FFAR1CTSVCTSLGRK2GRK3
SCHEMBL5249717 0.82 NR1H4 (0.65) FFAR1CTSVCTSLNR4A2SIRT2
SCHEMBL5290036 0.82 HTT (0.55) GRK2NR1H4KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135499-A1 Hydrazide compounds AERIE PHARMACEUTICALS, INC. (US) 2007-06-14 US disclosed
WO-2007008942-A2 PHENYLAMINO-ACETIC ACID [1-(PYRIDIN-4-YL)-METHYLIDENE]-HYDRAZIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF G PROTEIN-COUPLED RECEPTOR KINASES FOR THE TREATMENT OF EYE DISEASES AERIE PHARMACEUTICALS, INC. (US) 2007-01-18 WO disclosed
EP-0934262-A1 BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-08-11 EP disclosed
WO-1998017639-A1 BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1998-04-30 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-20070135499-A1 Hydrazide compounds GRK4, GRK2, GRK1 FFAR1 256/4885CTSV 3409/4885CTSL 4152/4885

“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.