SCHEMBL19835588

SCHEMBL19835588

OCCc1nc(-c2ccc(OC(F)(F)F)cc2)no1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.58
▸ MAPT P10636 3/20 0.54
▸ PKM P14618 1/20 0.54
▸ XBP1 P17861 1/20 0.54
▸ HDAC8 Q9BY41 6/20 0.53
▸ HDAC2 Q92769 5/20 0.53
▸ HDAC1 Q13547 3/20 0.53
▸ SIRT2 Q8IXJ6 3/20 0.51
▸ CASP3 P42574 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ TP53 P04637 2/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP3 P08254 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ MITF O75030 1/20 0.47
▸ NCOA3 Q9Y6Q9 1/20 0.47
▸ NPC1 O15118 2/20 0.47

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
SCHEMBL6327866 0.84 LMNA (0.71) S1PR1MAPTPKMXBP1HDAC8
SCHEMBL203702 0.83 S1PR1 (0.55) S1PR1MAPTPKMXBP1HDAC8
SCHEMBL15489417 0.83 ACACB (0.62) S1PR1MAPTPKMXBP1HDAC8
SCHEMBL29077239 0.83 S1PR1 (0.55) S1PR1MAPTPKMXBP1HDAC8
SCHEMBL29583825 0.81 LMNA (0.60) S1PR1MAPTPKMXBP1HDAC8
SCHEMBL19835706 0.81 SIRT2 (0.70) S1PR1MAPTHDAC8HDAC2HDAC1
SCHEMBL28018729 0.81 S1PR1 (0.53) S1PR1MAPTPKMXBP1HDAC8
SCHEMBL19835591 0.76 TDP1 (0.62) MAPTHDAC8HDAC2HDAC1SIRT2
SCHEMBL18105029 0.76 CASP3 (0.50) S1PR1MAPTPKMXBP1HDAC8
SCHEMBL95543 0.75 SMN1; SMN2 (0.69) MAPTSIRT2LMNATP53MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3275440-B1 NOVEL OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME NAT CT GERIATRICS & GERONTOLOGY (JP) 2022-05-04 — — EP disclosed
US-20180072708-A1 NOVEL OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME NATIONAL CENTER FOR GERIATRICS AND GERONTOLOGY (JP) 2018-03-15 — — US disclosed
EP-3275440-A1 NOVEL OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME National Center for Geriatrics and Gerontology (JP) 2018-01-31 — — EP 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-20180072708-A1 NOVEL OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME APP, BACE1, PSEN1 S1PR1 3836/4885MAPT 10/4885PKM 2159/4885

“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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