SCHEMBL6489445

SCHEMBL6489445

COC(=O)CC(Cc1ccccc1)C[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 6/20 0.54
ABCB1 P08183 1/20 0.43
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9755798 0.80 ABCB1 (0.48) CPA1ABCB1NPC1RAB9A
SCHEMBL12373434 0.80 CPA1 (0.50) CPA1ABCB1NPC1RAB9A
SCHEMBL9755795 0.80 ABCB1 (0.48) CPA1ABCB1NPC1RAB9A
SCHEMBL27875595 0.79 CPA1 (0.62) CPA1NPC1
SCHEMBL4302074 0.79 CPA1 (0.37) CPA1
Hydrochloric Acid SCHEMBL4841802 0.78 ABCB1 (0.46) CPA1ABCB1NPC1RAB9A
SCHEMBL7506611 0.77 ABCB1 (0.48) ABCB1NPC1RAB9A
SCHEMBL27750768 0.77 L3MBTL1 (0.53) CPA1NPC1RAB9ASMN1; SMN2
SCHEMBL27730273 0.77 L3MBTL1 (0.53) CPA1NPC1RAB9ASMN1; SMN2
SCHEMBL27730272 0.77 L3MBTL1 (0.53) CPA1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260103491-A1 ARYL SUBSTITUTED POLYMYXIN DERIVATIVES SPERO THERAPEUTICS INC (US) 2026-04-16 US disclosed
US-12528837-B2 Aryl substituted polymyxin derivatives SPERO THERAPEUTICS, INC. (US) 2026-01-20 US disclosed
CN-118878638-A Polymyxin compound, pharmaceutical composition and application thereof 云顶新耀医药科技有限公司 2024-11-01 CN disclosed
CN-112789287-B Compounds of formula (I) 云顶新耀医药科技有限公司 2024-06-21 CN disclosed
EP-4316504-A2 COMPOUNDS Spero Therapeutics, Inc. (US) 2024-02-07 EP disclosed
EP-3810633-B1 COMPOUNDS SPERO THERAPEUTICS INC (US) 2023-12-13 EP disclosed
US-20230012121-A1 COMPOUNDS SPERO THERAPEUTICS, INC. 2023-01-12 US disclosed
US-11459357-B2 Polymyxin compounds SPERO THERAPEUTICS, INC. (US) 2022-10-04 US disclosed
US-20210246169-A1 COMPOUNDS SPERO THERAPEUTICS, INC. (US) 2021-08-12 US disclosed
CN-112789287-A Compound (I) 斯佩罗治疗公司 2021-05-11 CN disclosed
US-6861530-B2 Piperidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-03-01 US disclosed
US-20020137770-A1 Piperidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-26 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 (6 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-20020137770-A1 Piperidine derivatives CIP2A, PARP2, TP53 CPA1 3469/4885ABCB1 237/4885NPC1 1427/4885
US-12528837-B2 Aryl substituted polymyxin derivatives PTMS, PNISR, BCAT2 CPA1 3427/4885ABCB1 3571/4885NPC1 4063/4885
US-20260103491-A1 ARYL SUBSTITUTED POLYMYXIN DERIVATIVES PTMS, FPR1, BCAT2 CPA1 3039/4885ABCB1 2436/4885NPC1 2851/4885
US-20230012121-A1 COMPOUNDS MRPS18A, MRPL37, MRPL21 CPA1 2831/4885ABCB1 1084/4885NPC1 3341/4885
US-11459357-B2 Polymyxin compounds MRPL37, MRPS18A, PNISR CPA1 2490/4885ABCB1 1434/4885NPC1 3973/4885
US-20210246169-A1 COMPOUNDS MRPS18A, MRPL37, MRPS35 CPA1 2607/4885ABCB1 1133/4885NPC1 3422/4885

“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.