SCHEMBL3167934

SCHEMBL3167934

Cc1cccc(C)c1-c1nc2ccc(C(=O)O)cc2n1CCO

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 2/20 0.49
▸ ACSS2 Q9NR19 4/20 0.46
▸ PIN1 Q13526 4/20 0.43
▸ SLC22A12 Q96S37 5/20 0.43
▸ F2 P00734 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ PLG P00747 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ VDR P11473 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.42
▸ DHODH Q02127 1/20 0.41
▸ TDP1 Q9NUW8 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
SCHEMBL3168338 0.87 NR1H4 (0.49) PTGER4ACSS2PIN1SLC22A12VDR
SCHEMBL3171231 0.86 PTGER4 (0.48) PTGER4ACSS2PIN1VDRNR1H4
SCHEMBL3175974 0.83 CHEK2 (0.52) PTGER4SLC22A12F2F10PLG
SCHEMBL1249330 0.82 DGAT1 (0.56) ACSS2
SCHEMBL1251505 0.79 NR1H4 (0.43) PTGER4PIN1VDRNR1H4
SCHEMBL3171773 0.79 PTGER4 (0.48) PTGER4ACSS2PIN1NR1H4
SCHEMBL3176844 0.78 PIN1 (0.52) PTGER4PIN1VDRNR1H4DHODH
SCHEMBL16587410 0.75 SLC22A12 (0.56) ACSS2SLC22A12TDP1
SCHEMBL1248717 0.73 DGAT1 (0.48) ACSS2
SCHEMBL17263036 0.72 ACSS2 (0.77) ACSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 — — US claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 — — EP disclosed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 — — US disclosed
US-20100016387-A1 METHOD OF TREATMENT BOSE AVIRUP 2010-01-21 — — US disclosed
CN-101600437-A method for preventing or treating myocardial ischemia NOVARTIS AG (CH) 2009-12-09 — — CN disclosed
EP-2101783-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA Novartis Ag (CH) 2009-09-23 — — EP disclosed
WO-2009112445-A1 METHOD OF INCREASING CELLULAR PHOSPHATIDYL CHOLINE BY DGAT1 INHIBITION NOVARTIS AG (CH) 2009-09-17 — — WO disclosed
WO-2008073865-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA NOVARTIS AG (CH) 2008-06-19 — — 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-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA PTGER4 2842/4885ACSS2 173/4885PIN1 3080/4885

“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.

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