SCHEMBL21609293

SCHEMBL21609293

COC(=O)CC(CN)c1cccc(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.47
F10 P00742 5/20 0.47
PRSS1 P07477 4/20 0.46
PNP P00491 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
GABBR2 O75899 4/20 0.44
GABBR1 Q9UBS5 4/20 0.44
LMNA P02545 2/20 0.44
CYP2C9 P11712 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
NFKB1 P19838 1/20 0.44
DRD3 P35462 1/20 0.44
BLM P54132 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL29848001 1.00 F2 (0.47) F2F10PRSS1PNPALDH1A1
SCHEMBL563435 0.86 F10 (0.48) F2F10PRSS1ALDH1A1HPGD
SCHEMBL14691022 0.86 FNTA (0.51) F2F10PRSS1PNPALDH1A1
SCHEMBL14691320 0.86 F2 (0.50) F2F10PRSS1PNPALDH1A1
SCHEMBL21656114 0.85 GABBR2 (0.41) ALDH1A1HPGDGABBR2GABBR1LMNA
SCHEMBL23750165 0.84 GABBR2 (0.47) ALDH1A1HPGDGABBR2GABBR1LMNA
SCHEMBL23750201 0.84 GABBR2 (0.47) ALDH1A1HPGDGABBR2GABBR1LMNA
SCHEMBL24036585 0.82 PNP (0.47) PNPALDH1A1HPGDLMNAMEN1
SCHEMBL4938396 0.82 PNP (0.47) PNPALDH1A1HPGDLMNAMEN1
SCHEMBL21610492 0.82 GABBR2 (0.67) GABBR2GABBR1LMNACYP2C9MEN1

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 14 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-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-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
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
EP-3810633-A1 COMPOUNDS Spero Therapeutics, Inc. (US) 2021-04-28 EP disclosed
WO-2020002325-A1 COMPOUNDS SPERO THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2020002325-A1 COMPOUNDS SPERO THERAPEUTICS, INC. (US) 2020-01-02 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 (5 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-12528837-B2 Aryl substituted polymyxin derivatives PTMS, PNISR, BCAT2 F2 543/4885F10 1162/4885PRSS1 2340/4885
US-20260103491-A1 ARYL SUBSTITUTED POLYMYXIN DERIVATIVES PTMS, FPR1, BCAT2 F2 870/4885F10 1945/4885PRSS1 2389/4885
US-20230012121-A1 COMPOUNDS MRPS18A, MRPL37, MRPL21 F2 315/4885F10 289/4885PRSS1 497/4885
US-11459357-B2 Polymyxin compounds MRPL37, MRPS18A, PNISR F2 451/4885F10 315/4885PRSS1 365/4885
US-20210246169-A1 COMPOUNDS MRPS18A, MRPL37, MRPS35 F2 288/4885F10 229/4885PRSS1 482/4885

“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.