SCHEMBL18976486

SCHEMBL18976486

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)Nc2ccc3oc(C(=O)N4CCSCC4)cc3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.41
▸ PTPN2 P17706 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PTPN6 P29350 1/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ RIN1 Q13671 1/20 0.41
▸ PARP1 P09874 2/20 0.37
▸ F11 P03951 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ BTK Q06187 1/20 0.36
▸ JAK1 P23458 1/20 0.36

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
SCHEMBL18976007 1.00 NAMPT (0.41) NAMPTPTPN2PTPN1PTPN6NPC1
SCHEMBL20580941 0.81 JAK1 (0.41) PTPN2PTPN1NPC1RAB9AF11
SCHEMBL18976466 0.77 HRAS (0.41) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL18976140 0.75 HRH4 (0.38) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL22928845 0.75 RAB9A (0.63) NAMPTNPC1RAB9APARP1ALDH1A1
SCHEMBL15155596 0.75 PTPN2 (0.61) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL18976321 0.74 ALDH1A1 (0.46) PTPN2PTPN1NPC1RAB9AALDH1A1
SCHEMBL16366856 0.71 PTPN2 (0.56) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL26134509 0.71 ABL1 (0.52) NAMPTPTPN2PTPN1PTPN6NPC1
SCHEMBL4711280 0.70 CTSK (0.45) NAMPTHPGDCA1CA2BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640507-B2 PBD antibacterial agents KING'S COLLEGE LONDON (GB) 2020-05-05 — — US disclosed
WO-2017098257-A1 PBD ANTIBACTERIAL AGENTS KING'S COLLEGE LONDON (GB) 2017-06-15 — — 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-10640507-B2 PBD antibacterial agents OPRD1, XDH, SBDS NAMPT 4610/4885PTPN2 1714/4885PTPN1 2014/4885

“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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