SCHEMBL21180491

SCHEMBL21180491

CC(NC(=O)OC(C)(C)C)C(=O)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.48
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
SLC6A3 Q01959 2/20 0.42
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
SLC6A2 P23975 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRND Q07001 1/20 0.42
EPHX2 P34913 1/20 0.41
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3871050 1.00 TRPA1 (0.48) TRPA1CTSSCTSKSLC6A3CHRNA1
SCHEMBL27405399 0.86 MIF (0.46) TRPA1CTSSCTSKEPHX2HPGD
SCHEMBL18660861 0.86 PPARG (0.49) TRPA1EPHX2HPGDALDH1A1KDM4E
SCHEMBL18660862 0.86 PPARG (0.49) TRPA1EPHX2HPGDALDH1A1KDM4E
SCHEMBL27405397 0.86 MIF (0.46) TRPA1CTSSCTSKEPHX2HPGD
SCHEMBL1743898 0.85 PPARG (0.52) TRPA1HPGDKDM4EGLAGAA
SCHEMBL850968 0.85 PPARG (0.52) TRPA1HPGDKDM4EGLAGAA
SCHEMBL24298843 0.85 HDAC1 (0.45) TRPA1HPGDALDH1A1KDM4EGLA
SCHEMBL15081388 0.85 SLC6A3 (0.60) TRPA1CTSSCTSKSLC6A3CHRNA1
SCHEMBL2762834 0.85 TRPA1 (0.52) TRPA1SLC6A3CHRNA1CHRNGCHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260124204-A1 METALLOENZYME INHIBITOR COMPOUNDS EIKONIZO THERAPEUTICS, INC. (US) 2026-05-07 US disclosed
US-12370194-B2 Metalloenzyme inhibitor compounds EIKONIZO THERAPEUTICS, INC. (US) 2025-07-29 US disclosed
US-20240307391-A1 METALLOENZYME INHIBITOR COMPOUNDS EIKONIZO THERAPEUTICS, INC. (US) 2024-09-19 US disclosed
US-11938134-B2 Metalloenzyme inhibitor compounds EIKONIZO THERAPEUTICS, INC. (US) 2024-03-26 US disclosed
CN-117247337-A Method for asymmetrically synthesizing 1, 2-trans-amino alcohol and derivative thereof 凯特立斯(深圳)科技有限公司 2023-12-19 CN disclosed
US-20220088018-A1 METALLOENZYME INHIBITOR COMPOUNDS EIKONIZO THERAPEUTICS, INC. (US) 2022-03-24 US disclosed
US-20200171028-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS HOLDINGS, LLC 2020-06-04 US disclosed
US-20200171028-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS HOLDINGS, LLC 2020-06-04 US disclosed
US-10357493-B2 Metalloenzyme inhibitor compounds SELENITY THERAPEUTICS (BERMUDA), LTD. (BM) 2019-07-23 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 (7 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-20240307391-A1 METALLOENZYME INHIBITOR COMPOUNDS HDAC6, HDAC1, HDAC2 TRPA1 4141/4885CTSS 431/4885CTSK 249/4885
US-20220088018-A1 METALLOENZYME INHIBITOR COMPOUNDS HDAC6, HDAC1, HDAC2 TRPA1 4141/4885CTSS 431/4885CTSK 249/4885
US-20200171028-A1 METALLOENZYME INHIBITOR COMPOUNDS HDAC6, HDAC1, HDAC2 TRPA1 4141/4885CTSS 431/4885CTSK 249/4885
US-20260124204-A1 METALLOENZYME INHIBITOR COMPOUNDS HDAC6, HDAC3, HDAC1 TRPA1 4541/4885CTSS 97/4885CTSK 322/4885
US-11938134-B2 Metalloenzyme inhibitor compounds HDAC6, HDAC1, HDAC2 TRPA1 4141/4885CTSS 431/4885CTSK 249/4885
US-10357493-B2 Metalloenzyme inhibitor compounds HDAC6, HDAC1, HDAC2 TRPA1 4141/4885CTSS 431/4885CTSK 249/4885
US-12370194-B2 Metalloenzyme inhibitor compounds HDAC6, HDAC1, HDAC2 TRPA1 4141/4885CTSS 431/4885CTSK 249/4885

“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.