SCHEMBL6478745

SCHEMBL6478745

COC(=O)CC(C[N+](=O)[O-])c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
F2 P00734 5/20 0.41
F10 P00742 5/20 0.41
PNP P00491 1/20 0.41
PRSS1 P07477 4/20 0.41
CNR1 P21554 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
GLA P06280 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
WDR5 P61964 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 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
SCHEMBL30947796 1.00 ALDH1A1 (0.41) ALDH1A1HPGDF2F10PNP
SCHEMBL563397 0.88 F10 (0.43) ALDH1A1F2F10PRSS1CNR1
SCHEMBL7682360 0.87 L3MBTL1 (0.42) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL7680353 0.86 F2 (0.42) ALDH1A1HPGDF2F10PRSS1
SCHEMBL7688672 0.85 MEN1 (0.49) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL7682611 0.85 F2 (0.41) ALDH1A1F2F10PRSS1CNR1
SCHEMBL7688540 0.85 L3MBTL1 (0.48) F2F10PRSS1CNR1MEN1
SCHEMBL6478160 0.85 KCNA5 (0.44) ALDH1A1F2F10PRSS1MEN1
SCHEMBL10637253 0.84 ALDH1A1 (0.43) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL29921355 0.84 ALDH1A1 (0.51) ALDH1A1HPGDKMT2AMAPTCYP3A4

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 18 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-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
US-6861530-B2 Piperidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-03-01 US disclosed
US-6492392-B1 INHIBITING TUMOR CELL PROLIFERATION KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-12-10 US disclosed
US-20020137770-A1 Piperidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-26 US disclosed
WO-2001085716-A1 2-PIPERIDONE COMPOUNDS FOR THE TREATMENT OF CANCER KYOWA HAKKO KOGYO CO., LTD (JP) 2001-11-15 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 (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 ALDH1A1 270/4885HPGD 659/4885F2 4856/4885
US-12528837-B2 Aryl substituted polymyxin derivatives PTMS, PNISR, BCAT2 ALDH1A1 4604/4885HPGD 1833/4885F2 543/4885
US-20260103491-A1 ARYL SUBSTITUTED POLYMYXIN DERIVATIVES PTMS, FPR1, BCAT2 ALDH1A1 4608/4885HPGD 2616/4885F2 870/4885
US-20230012121-A1 COMPOUNDS MRPS18A, MRPL37, MRPL21 ALDH1A1 3966/4885HPGD 2328/4885F2 315/4885
US-11459357-B2 Polymyxin compounds MRPL37, MRPS18A, PNISR ALDH1A1 4750/4885HPGD 2377/4885F2 451/4885
US-20210246169-A1 COMPOUNDS MRPS18A, MRPL37, MRPS35 ALDH1A1 4011/4885HPGD 2011/4885F2 288/4885

“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.