SCHEMBL1785567

SCHEMBL1785567

Cc1cc(OCCN(C(=O)O)C(C)(C)C)ccc1-c1cccc(C(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 3/20 0.47
PTPN11 Q06124 1/20 0.43
FYN P06241 2/20 0.42
FFAR1 O14842 5/20 0.41
SHMT1 P34896 1/20 0.39
TTK P33981 1/20 0.39
MAPK8 P45983 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MCHR1 Q99705 1/20 0.39
LRRK2 Q5S007 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
CHEK1 O14757 1/20 0.38
CHEK2 O96017 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL12607509 0.81 SUCNR1 (0.56) SUCNR1PTPN11FYNFFAR1TTK
SCHEMBL3340256 0.80 SUCNR1 (0.52) SUCNR1PTPN11FYNFFAR1PPARG
Trifluoroacetic Acid SCHEMBL1786397 0.79 SUCNR1 (0.52) SUCNR1PTPN11FYNFFAR1SHMT1
SCHEMBL12651359 0.77 PDK2 (0.51) SUCNR1FFAR1
SCHEMBL6329015 0.74 KDM4E (0.43) MCHR1
SCHEMBL1789182 0.74 NPC1 (0.50)
SCHEMBL1788632 0.72 DHODH (0.43) SHMT1
SCHEMBL12651253 0.72 SUCNR1 (0.43) SUCNR1PTPN11FYN
Trifluoroacetic Acid SCHEMBL1785741 0.72 SUCNR1 (0.42) SUCNR1PTPN11FFAR1MMP2MMP3
SCHEMBL1786301 0.71 CHEK2 (0.47) SUCNR1PTPN11LRRK2MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 SUCNR1 319/4885PTPN11 735/4885FYN 2651/4885

“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.