SCHEMBL19893070

SCHEMBL19893070

COC(=O)CCNc1cnn(CC(F)F)c1C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ TMPRSS15 P98073 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31

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
SCHEMBL19893277 0.79 CNR2 (0.47) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL31573597 0.75 KMT2A (0.43) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL19893289 0.72 SMN1; SMN2 (0.42) KDM4EALDH1A1GAASMN1; SMN2POLB
SCHEMBL30926216 0.69 ALDH1A1 (0.37) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL22749197 0.64 ALDH1A1 (0.40) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL22749223 0.64 CNR2 (0.48) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL21960962 0.64 MAP3K14 (0.36) KDM4EALDH1A1GAAHSD17B10ADORA2A
SCHEMBL24770460 0.64 POLB (0.38) KDM4EALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL15898282 0.64 F2 (0.43) ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL22749207 0.63 CNR2 (0.47) KDM4EALDH1A1GAASMN1; SMN2CNR2

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
EP-3287441-B1 ACYLATED 4-AMINOPIPERIDINES AS INHIBITORS OF SERINE PALMITOYLTRANSFERASE TAKEDA PHARMACEUTICALS CO (JP) 2021-06-09 — — EP disclosed
US-10189785-B2 Heterocyclic compound TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2019-01-29 — — US disclosed
US-20180170874-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-21 — — US disclosed
EP-3287441-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-28 — — 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 (2 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-10189785-B2 Heterocyclic compound SPTLC1, SPTLC2, NPC1 KDM4E 3051/4885ALDH1A1 2775/4885GAA 23/4885
US-20180170874-A1 HETEROCYCLIC COMPOUND SPTLC1, SPTLC2, NPC1 KDM4E 3051/4885ALDH1A1 2775/4885GAA 23/4885

“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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