SCHEMBL20580941

SCHEMBL20580941

NC(=O)OC1CCC(C(=O)Nc2ccc3oc(C(=O)N4CCSCC4)cc3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 1/20 0.41
▸ F11 P03951 5/20 0.40
▸ F2 P00734 2/20 0.40
▸ TPSAB1 Q15661 2/20 0.40
▸ TPSD1 Q9BZJ3 2/20 0.40
▸ TPSG1 Q9NRR2 2/20 0.40
▸ ACHE P22303 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ RAB9A P51151 6/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PTPN2 P17706 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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 0.81 NAMPT (0.41) JAK1F11RAB9AALDH1A1NPC1
SCHEMBL18976486 0.81 NAMPT (0.41) JAK1F11RAB9AALDH1A1NPC1
SCHEMBL18976321 0.79 ALDH1A1 (0.46) RAB9AALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL29082788 0.73 RAB9A (0.66) F2TPSAB1TPSD1TPSG1RAB9A
SCHEMBL18976128 0.70 MAPT (0.47) F2TPSAB1TPSD1TPSG1ACHE
SCHEMBL20581440 0.69 HRH4 (0.44) F2TPSAB1TPSD1TPSG1RAB9A
SCHEMBL15155596 0.67 PTPN2 (0.61) F11RAB9AALDH1A1NPC1PTPN2
SCHEMBL20581201 0.67 HRH4 (0.41) F2TPSAB1TPSD1TPSG1RAB9A
SCHEMBL18976466 0.67 HRAS (0.41) F2TPSAB1TPSD1TPSG1RAB9A
SCHEMBL18976199 0.67 HRH4 (0.48) RAB9AALDH1A1NPC1SMN1; SMN2LMNA

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
US-20180354958-A1 PBD ANTIBACTERIAL AGENTS Secretary of State for Health and Social Care (GB) 2018-12-13 — — 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 (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-10640507-B2 PBD antibacterial agents OPRD1, XDH, SBDS JAK1 1849/4885F11 1371/4885F2 2344/4885
US-20180354958-A1 PBD ANTIBACTERIAL AGENTS OPRD1, XDH, SBDS JAK1 1849/4885F11 1371/4885F2 2344/4885

“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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