SCHEMBL4453820

SCHEMBL4453820

c1ccc(-c2coc(-c3ncco3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.51
ENPP3 O14638 5/20 0.49
ENPP1 P22413 5/20 0.49
LTA4H P09960 1/20 0.46
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
AURKA O14965 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PRKACA P17612 1/20 0.41
ADORA2A P29274 1/20 0.41
SMO Q99835 2/20 0.40
HSD11B1 P28845 2/20 0.39
PIN1 Q13526 1/20 0.38
GRM5 P41594 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL278182 0.79 ENPP3 (0.69) ENPP3ENPP1HSD17B1HSD17B2SMO
Benzene SCHEMBL16781371 0.79 ENPP3 (0.69) ENPP3ENPP1HSD17B1HSD17B2SMO
SCHEMBL31606598 0.77 ENPP3 (0.67) ENPP3ENPP1HSD17B1HSD17B2SMO
SCHEMBL3271684 0.77 ENPP3 (0.72) ENPP3ENPP1HSD17B1HSD17B2SMO
SCHEMBL11566150 0.77 ENPP3 (0.72) ENPP3ENPP1HSD17B1HSD17B2SMO
SCHEMBL28370241 0.77 SMN1; SMN2 (0.51) ENPP3ENPP1HSD17B1HSD17B2HSP90AA1
SCHEMBL301469 0.77 HPGDS (0.71) HPGDSLTA4HPIN1RAB9AHPGD
SCHEMBL2198916 0.76 ENPP3 (0.65) ENPP3ENPP1HSD17B1HSD17B2ADORA2A
SCHEMBL5664564 0.76 ENPP3 (0.75) ENPP3ENPP1HSD17B1HSD17B2SMO
SCHEMBL28753616 0.75 HPGDS (0.69) HPGDSLTA4HPIN1RAB9AHPGD

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076033-A1 Method for treating atherosclerosis employing an aP2 inhibitor and combination ROBL JEFFREY A 2009-03-19 US claimed
EP-1121129-B1 METHOD FOR TREATING DIABETES EMPLOYING AN aP2 INHIBITOR AND ASSOCIATED COMBINATIONS BRISTOL MYERS SQUIBB CO (US) 2008-09-03 EP claimed
US-7390824-B1 Method for treating diabetes employing an aP2 inhibitor and combination BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-24 US claimed
US-20040229807-A1 Method for treating atherosclerosis employing an aP2 inhibitor and combination PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2004-11-18 US claimed
EP-1121129-A4 METHOD FOR TREATING DIABETES EMPLOYING AN aP2 INHIBITOR AND COMBINATION BRISTOL MYERS SQUIBB CO (US) 2002-10-16 EP claimed
EP-1113801-A4 METHOD FOR TREATING ATHEROSCLEROSIS EMPLOYING AN aP2 INHIBITOR AND COMBINATION BRISTOL MYERS SQUIBB CO (US) 2002-10-02 EP claimed
JP-2002524517-A 2002-08-06 JP claimed
JP-2002524518-A 2002-08-06 JP claimed
US-20020035064-A1 Method for treating atherosclerosis employing an aP2 inhibitor and combination BRISTOL-MYERS SQUIBB COMPANY 2002-03-21 US claimed
EP-1121129-A1 METHOD FOR TREATING DIABETES EMPLOYING AN aP2 INHIBITOR AND COMBINATION BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-08 EP claimed
EP-1113801-A1 METHOD FOR TREATING ATHEROSCLEROSIS EMPLOYING AN aP2 INHIBITOR AND COMBINATION BRISTOL-MYERS SQUIBB COMPANY (US) 2001-07-11 EP claimed
WO-2000015230-A1 METHOD FOR TREATING ATHEROSCLEROSIS EMPLOYING AN aP2 INHIBITOR AND COMBINATION BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-23 WO claimed
WO-2000015229-A1 METHOD FOR TREATING DIABETES EMPLOYING AN aP2 INHIBITOR AND COMBINATION BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-23 WO claimed
US-20090076033-A1 Method for treating atherosclerosis employing an aP2 inhibitor and combination ROBL JEFFREY A 2009-03-19 US disclosed
EP-1121129-B1 METHOD FOR TREATING DIABETES EMPLOYING AN aP2 INHIBITOR AND ASSOCIATED COMBINATIONS BRISTOL MYERS SQUIBB CO (US) 2008-09-03 EP disclosed
US-7390824-B1 Method for treating diabetes employing an aP2 inhibitor and combination BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-24 US disclosed
US-5292631-A Radiographic elements with improved covering power EASTMAN KODAK COMPANY (US) 1994-03-08 US disclosed
EP-0575262-A2 Radiographic elements with improved covering power EASTMAN KODAK COMPANY (US) 1993-12-22 EP disclosed
EP-0574331-A2 Tone control of photographic images EASTMAN KODAK COMPANY (US) 1993-12-15 EP disclosed
EP-0573373-A2 Tone control of photographic silver images EASTMAN KODAK COMPANY (US) 1993-12-08 EP 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 (3 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-20020035064-A1 Method for treating atherosclerosis employing an aP2 inhibitor and combination SREBF2, SREBF1, AP2A2 HPGDS 561/4885ENPP3 639/4885ENPP1 529/4885
US-20040229807-A1 Method for treating atherosclerosis employing an aP2 inhibitor and combination SREBF2, SREBF1, AP2A2 HPGDS 561/4885ENPP3 639/4885ENPP1 529/4885
US-20090076033-A1 Method for treating atherosclerosis employing an aP2 inhibitor and combination SREBF2, SREBF1, HMGCR HPGDS 365/4885ENPP3 609/4885ENPP1 480/4885

“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.