SCHEMBL21609299

SCHEMBL21609299

CC(C)(C)OC(=O)NCC(CC(=O)O)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
SYK P43405 1/20 0.53
CTSS P25774 5/20 0.51
CTSK P43235 4/20 0.51
CTSB P07858 2/20 0.51
CTSL P07711 1/20 0.51
AKT1 P31749 3/20 0.47
ACE P12821 1/20 0.46
IDO1 P14902 1/20 0.46
KLK5 Q9Y337 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
APP P05067 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
SCHEMBL6874791 1.00 ATM (0.53) ATMSYKCTSSCTSKCTSB
SCHEMBL29847901 0.89 CTSS (0.58) ATMSYKCTSSCTSKCTSB
SCHEMBL23721718 0.89 CTSS (0.58) ATMSYKCTSSCTSKCTSB
SCHEMBL13109024 0.88 ATM (0.54) ATMSYKCTSSCTSKCTSB
SCHEMBL7408378 0.88 ATM (0.54) ATMSYKCTSSCTSKCTSB
SCHEMBL6835510 0.88 ATM (0.54) ATMSYKCTSSCTSKCTSB
SCHEMBL12166523 0.87 ATM (0.51) ATMSYKCTSSCTSKCTSB
SCHEMBL21609302 0.87 CTSL (0.57) ATMSYKCTSSCTSKCTSB
SCHEMBL12295159 0.86 ATM (0.53) ATMSYKCTSSCTSKCTSB
SCHEMBL18748463 0.86 ATM (0.53) ATMSYKCTSSCTSKCTSB

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 16 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
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 ATM 91/4885SYK 107/4885CTSS 4094/4885
US-20260103491-A1 ARYL SUBSTITUTED POLYMYXIN DERIVATIVES PTMS, FPR1, BCAT2 ATM 773/4885SYK 90/4885CTSS 4743/4885
US-20230012121-A1 COMPOUNDS MRPS18A, MRPL37, MRPL21 ATM 1094/4885SYK 910/4885CTSS 2308/4885
US-11459357-B2 Polymyxin compounds MRPL37, MRPS18A, PNISR ATM 1295/4885SYK 817/4885CTSS 2840/4885
US-20210246169-A1 COMPOUNDS MRPS18A, MRPL37, MRPS35 ATM 922/4885SYK 893/4885CTSS 2181/4885

“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.