SCHEMBL161031

SCHEMBL161031

CC(C)(CCc1ncc(-c2ccc(NC(=NC#N)Nc3ccccc3F)cc2)s1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 9/20 0.42
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ESR1 P03372 1/20 0.35
▸ ESRRG P62508 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3R1 P27986 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ ERCC5 P28715 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ TEK Q02763 1/20 0.34
▸ KCNJ11 Q14654 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32

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
SCHEMBL161581 0.92 DGAT1 (0.39) DGAT1TP53SMN1; SMN2ESR1ESRRG
SCHEMBL161580 0.92 DGAT1 (0.39) DGAT1TP53SMN1; SMN2ESR1ESRRG
SCHEMBL162409 0.90 DGAT1 (0.44) DGAT1TP53SMN1; SMN2ESR1ESRRG
SCHEMBL162408 0.90 DGAT1 (0.44) DGAT1TP53SMN1; SMN2ESR1ESRRG
SCHEMBL160057 0.87 DGAT1 (0.54) DGAT1SMN1; SMN2KDRTEKCNR1
SCHEMBL161519 0.85 DGAT1 (0.45) DGAT1TP53SMN1; SMN2ESR1ESRRG
SCHEMBL163109 0.85 DGAT1 (0.47) DGAT1TP53SMN1; SMN2ESR1ESRRG
SCHEMBL160965 0.81 DGAT1 (0.41) DGAT1TP53SMN1; SMN2ESR1ESRRG
SCHEMBL160964 0.81 DGAT1 (0.41) DGAT1TP53SMN1; SMN2ESR1ESRRG
SCHEMBL161532 0.81 DGAT1 (0.40) DGAT1TP53SMN1; SMN2ESR1ESRRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 — — EP claimed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 — — US claimed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 — — WO claimed
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 — — EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 — — US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 — — 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 DGAT1 1/4885TP53 1654/4885SMN1; SMN2 2105/4885

“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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