SCHEMBL17841491

SCHEMBL17841491

O=C(O)C[C@@H](Nc1cc(=O)n(-c2cc(F)cc(F)c2)c(=O)[nH]1)C1CCC(F)(F)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 5/20 0.34
▸ P2RX7 Q99572 1/20 0.32
▸ APLNR P35414 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CASP3 P42574 1/20 0.30

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
SCHEMBL17857458 0.92 HSD17B10 (0.32) FFAR4P2RX7
SCHEMBL17861556 0.88 ALDH1A1 (0.34) FFAR4ALDH1A1
SCHEMBL16322327 0.79 FFAR4 (0.32) FFAR4ALDH1A1
SCHEMBL16322326 0.79 FFAR4 (0.32) FFAR4ALDH1A1
SCHEMBL16341721 0.72 HTT (0.31) —
SCHEMBL16321200 0.68 SMN1; SMN2 (0.63) ALDH1A1
SCHEMBL16321199 0.68 SMN1; SMN2 (0.63) ALDH1A1
SCHEMBL16340842 0.66 CYP3A4 (0.50) ALDH1A1
SCHEMBL16340841 0.66 CYP3A4 (0.50) ALDH1A1
SCHEMBL17476757 0.66 KMT2A (0.38) ALDH1A1

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
US-9663516-B2 Bicyclic-pyrimidinedione compounds MyoKardia, Inc. (US) 2017-05-30 — — US disclosed
US-9663516-B2 Bicyclic-pyrimidinedione compounds MyoKardia, Inc. (US) 2017-05-30 — — US disclosed
US-9663516-B2 Bicyclic-pyrimidinedione compounds MyoKardia, Inc. (US) 2017-05-30 — — US disclosed
US-20160176868-A1 BICYCLIC-PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2016-06-23 — — US disclosed
US-20160176868-A1 BICYCLIC-PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2016-06-23 — — US disclosed
US-20160176868-A1 BICYCLIC-PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2016-06-23 — — 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-20160176868-A1 BICYCLIC-PYRIMIDINEDIONE COMPOUNDS TNNI3, NME4, TNNT2 FFAR4 3784/4885P2RX7 1595/4885APLNR 3452/4885

“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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