SCHEMBL23385035

SCHEMBL23385035

CN(C)C(=O)C(NC(=O)OC(C)(C)C)c1cc(F)cc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLRK1 P26718 6/20 0.43
MICA Q29983 6/20 0.43
RAET1L Q5VY80 6/20 0.43
CTSK P43235 6/20 0.40
CTSS P25774 3/20 0.40
S1PR3 Q99500 1/20 0.36
TRPA1 O75762 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRB2 P47870 1/20 0.36
AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL23384954 0.90 KLRK1 (0.39) KLRK1MICARAET1LCTSKCTSS
SCHEMBL29826428 0.90 KLRK1 (0.39) KLRK1MICARAET1LCTSKCTSS
SCHEMBL3218001 0.86 CTSS (0.45) KLRK1MICARAET1LCTSKCTSS
SCHEMBL1115223 0.84 CTSS (0.45) CTSKCTSSS1PR3TRPA1GABRB1
SCHEMBL12847456 0.83 CTSS (0.41) CTSKCTSSS1PR3TRPA1GABRB1
SCHEMBL1115072 0.83 CTSS (0.41) CTSKCTSSS1PR3TRPA1GABRB1
SCHEMBL8351861 0.80 CTSK (0.60) KLRK1MICARAET1LCTSKCTSS
SCHEMBL8235992 0.78 KLRK1 (0.59) KLRK1MICARAET1LCTSKCTSS
SCHEMBL17041589 0.78 KMT2A (0.43) CTSKCTSSTRPA1GABRB1GABRB2
SCHEMBL12791268 0.78 KMT2A (0.43) CTSKCTSSTRPA1GABRB1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-02-16 US disclosed
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-02-16 US disclosed
EP-4059928-A1 ROCK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2022-09-21 EP disclosed
WO-2021093795-A1 ROCK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 武汉朗来科技发展有限公司 2021-05-20 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 (1 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-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF ROCK1, CYP11B1, CYP4A11 KLRK1 4820/4885MICA 3992/4885RAET1L 2068/4885

“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.