SCHEMBL31479942

SCHEMBL31479942

CC(C)CCC(CO)NC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.57
CTSK P43235 9/20 0.54
ATM Q13315 1/20 0.53
CTSS P25774 3/20 0.51
CTSL P07711 3/20 0.51
SYK P43405 1/20 0.51
CTSB P07858 1/20 0.51
ELANE P08246 1/20 0.50
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48

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
Isobutane SCHEMBL29141206 0.88 CTSK (0.56) CTRB1CTSKATMCTSSCTSL
SCHEMBL14923444 0.87 CTSK (0.62) CTRB1CTSKATMCTSSCTSL
SCHEMBL28366233 0.87 CTRB1 (0.58) CTRB1CTSKATMCTSSCTSL
SCHEMBL5724608 0.87 CTSK (0.62) CTRB1CTSKATMCTSSCTSL
SCHEMBL2723504 0.87 CTSK (0.62) CTRB1CTSKATMCTSSCTSL
SCHEMBL15271597 0.87 CTRB1 (0.58) CTRB1CTSKATMCTSSCTSL
SCHEMBL21906489 0.87 CTRB1 (0.58) CTRB1CTSKATMCTSSCTSL
SCHEMBL1570467 0.87 CTRB1 (0.61) CTRB1CTSKATMCTSSCTSL
SCHEMBL15664942 0.87 CTRB1 (0.61) CTRB1CTSKATMCTSSCTSL
SCHEMBL1570465 0.87 CTRB1 (0.61) CTRB1CTSKATMCTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12264146-B2 Rho kinase inhibitor, method for preparing same and uses thereof BEIJING INCREASE INNOVATIVE DRUG CO., LTD (CN) 2025-04-01 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 (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-12264146-B2 Rho kinase inhibitor, method for preparing same and uses thereof ROCK1, RHOA, ROCK2 CTRB1 1532/4885CTSK 731/4885ATM 3340/4885

“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.