SCHEMBL29482004

SCHEMBL29482004

CN(C)[C@H]1CC(c2cccc(Br)c2)=CC[C@@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
BRD4 O60885 3/20 0.36
CREBBP Q92793 3/20 0.36
USP30 Q70CQ3 3/20 0.35
BCL2 P10415 1/20 0.35
BECN1 Q14457 1/20 0.35
KDM1A O60341 2/20 0.34
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
SYK P43405 1/20 0.33
AAK1 Q2M2I8 2/20 0.33
F2R P25116 1/20 0.33
EPHX2 P34913 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32

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
SCHEMBL20063872 1.00 CTSB (0.36) CTSBCTSSCTSKBRD4CREBBP
SCHEMBL20063873 1.00 CTSB (0.36) CTSBCTSSCTSKBRD4CREBBP
SCHEMBL21306631 0.88 KAT6A (0.37) BRD4CREBBPKDM1AMAOBMAOA
SCHEMBL20063894 0.88 USP30 (0.38) BRD4CREBBPUSP30KDM1AMAOB
SCHEMBL21296534 0.86 KMT2A (0.38) KMT2AMEN1POLB
SCHEMBL20063853 0.86 KDM1A (0.39) BRD4CREBBPBCL2BECN1KDM1A
SCHEMBL20063855 0.86 KDM1A (0.39) BRD4CREBBPBCL2BECN1KDM1A
SCHEMBL20063870 0.86 RXFP1 (0.41) BRD4CREBBPPOLB
SCHEMBL21838612 0.85 CTSB (0.37) CTSBCTSSCTSKBRD4CREBBP
SCHEMBL21311669 0.84 CTSB (0.38) CTSBCTSSCTSKBRD4CREBBP

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-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-03-17 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-20220081423-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF TRPV1, HCN4, TRPA1 CTSB 2089/4885CTSS 2205/4885CTSK 2607/4885

“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.