SCHEMBL7224871

SCHEMBL7224871

CCCCCCSc1[c]c(OC)ncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.43
PTGES O14684 2/20 0.41
MAPT P10636 2/20 0.39
CYP2C9 P11712 4/20 0.38
CYP2C19 P33261 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2E1 P05181 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C8 P10632 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2B6 P20813 3/20 0.38
G6PD P11413 1/20 0.37
SOAT1 P35610 1/20 0.36
PTGS2 P35354 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8834767 0.67 GPR84 (0.37) GPR84CYP2C9CYP2C19CYP1A2CYP2E1
SCHEMBL7225374 0.67 GPR84 (0.43) GPR84PTGESMAPTCYP2C9CYP2C19
SCHEMBL11032057 0.64 GPR84 (0.39) GPR84MAPTCYP2C9CYP2C19SOAT1
SCHEMBL5316867 0.64 PTGS2 (0.66) G6PDSOAT1PTGS2
SCHEMBL11334284 0.63 SMN1; SMN2 (0.51) GPR84MAPTCYP2C9CYP2C19CYP1A2
SCHEMBL7298064 0.63 GPR84 (0.37) GPR84MAPTCYP2C9CYP2C19G6PD
SCHEMBL7260314 0.63 PTGES (0.55) PTGESMAPTCYP2C9CYP2C19CYP1A2
SCHEMBL20495338 0.63 PTGES (0.55) PTGESMAPTCYP2C9CYP2C19CYP1A2
SCHEMBL5315774 0.63 PTGES (0.55) PTGESMAPTCYP2C9CYP2C19CYP1A2
SCHEMBL6022136 0.63 ALOX15 (0.51) GPR84PTGESMAPTSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6509362-B2 Cholesteryl acyl transferase (ACAT) inhibitors; treatment of hyperlipidaemia and atherosclerosis. MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2003-01-21 US claimed
US-20020068739-A1 New N-phenylamide and N-pyridylamide derivatives, method of preparing them and pharmaceutical compositions containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2002-06-06 US claimed
US-6339097-B1 FOR THERAPY OF HYPERLIPIDAEMIA AND ATHEROSCLEROSIS; CHOLESTERYL ACYL TRANSFERASE (ACAT) INHIBITORS MERCK PATENT GMBH (DE) 2002-01-15 US claimed
EP-1040109-A1 N-PHENYLAMIDE AND N-PYRIDYLAMIDE DERIVATIVES, METHOD OF PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GmbH (DE) 2000-10-04 EP claimed
WO-1999033825-A1 N-PHENYLAMIDE AND N-PYRIDYLAMIDE DERIVATIVES, METHOD OF PREPARING THEM AND PHARMACEUTICAL COMPOSITONS CONTAINING THEM MERCK PATENT GMBH (DE) 1999-07-08 WO claimed
US-6509362-B2 Cholesteryl acyl transferase (ACAT) inhibitors; treatment of hyperlipidaemia and atherosclerosis. MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2003-01-21 US disclosed
US-20020068739-A1 New N-phenylamide and N-pyridylamide derivatives, method of preparing them and pharmaceutical compositions containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2002-06-06 US disclosed
US-6339097-B1 FOR THERAPY OF HYPERLIPIDAEMIA AND ATHEROSCLEROSIS; CHOLESTERYL ACYL TRANSFERASE (ACAT) INHIBITORS MERCK PATENT GMBH (DE) 2002-01-15 US disclosed
EP-1040109-A1 N-PHENYLAMIDE AND N-PYRIDYLAMIDE DERIVATIVES, METHOD OF PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GmbH (DE) 2000-10-04 EP disclosed
WO-1999033825-A1 N-PHENYLAMIDE AND N-PYRIDYLAMIDE DERIVATIVES, METHOD OF PREPARING THEM AND PHARMACEUTICAL COMPOSITONS CONTAINING THEM MERCK PATENT GMBH (DE) 1999-07-08 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-20020068739-A1 New N-phenylamide and N-pyridylamide derivatives, method of preparing them and pharmaceutical compositions containing them ACAT2, LCAT, ACAT1 GPR84 2969/4885PTGES 1279/4885MAPT 893/4885

“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.