SCHEMBL17988490

SCHEMBL17988490

COC(=O)Nc1ccc(C(C)(C)C)c(C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CFTR P13569 1/20 0.41
▸ MAPT P10636 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
SCHEMBL20079586 0.88 S1PR1 (0.46) SMN1; SMN2
SCHEMBL24599224 0.80 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EHPGDGAACYP2D6
SCHEMBL23139484 0.78 S1PR1 (0.59) SMN1; SMN2GAACYP1A2CYP2C9CYP2C19
SCHEMBL23139488 0.76 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EHPGD
SCHEMBL9633496 0.75 SMN1; SMN2 (0.47) SMN1; SMN2HPGDMAPT
SCHEMBL2240760 0.75 NOTUM (0.49) SMN1; SMN2KDM4EHPGDGAANPC1
SCHEMBL7217455 0.72 LPAR1 (0.35) GAACYP1A2CYP2C9CYP2C19
SCHEMBL23974729 0.71 GAA (0.54) SMN1; SMN2GAACYP1A2CYP2C9CYP2C19
SCHEMBL17014550 0.71 GAA (0.58) GAAMAPT
SCHEMBL9609808 0.70 SMN1; SMN2 (0.82) SMN1; SMN2KDM4EHPGDGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951071-B2 Dihydropyridone P1 as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-24 — — US disclosed
US-9951071-B2 Dihydropyridone P1 as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-24 — — US disclosed
US-20160340360-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-24 — — US disclosed
US-9409908-B2 Dihydropyridone p1 as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-09 — — 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-20160340360-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SMN1; SMN2 3512/4885KDM4E 776/4885HPGD 477/4885

“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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