SCHEMBL16840367

SCHEMBL16840367

COC(=O)[C@@H](NC(=O)c1ccc(C#CBr)cc1)C(C)(C)N

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PRSS1 P07477 2/20 0.36
CTSG P08311 2/20 0.36
CTRB1 P17538 2/20 0.36
CMA1 P23946 2/20 0.36
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
P2RY6 Q15077 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35

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
Hydrochloric Acid SCHEMBL16820710 0.99 ACACB (0.38) ACACBCA2LMNAL3MBTL1PRSS1
Hydrochloric Acid SCHEMBL16820709 0.99 ACACB (0.38) ACACBCA2LMNAL3MBTL1PRSS1
SCHEMBL16820675 0.88 LMNA (0.41) ACACBCA2LMNAL3MBTL1PRSS1
SCHEMBL16820674 0.88 LMNA (0.41) ACACBCA2LMNAL3MBTL1PRSS1
SCHEMBL20299901 0.87 ACACB (0.41) ACACBCA2RARBRARG
SCHEMBL254640 0.87 ACACB (0.41) ACACBCA2RARBRARG
SCHEMBL16840371 0.85 MMP2 (0.40) ACACBCA2LMNAL3MBTL1TAS1R3
SCHEMBL15235731 0.85 ADRB2 (0.38) ACACBCA2LMNAL3MBTL1
SCHEMBL3017864 0.84 ACACB (0.46) ACACBTAS1R3TAS1R1
SCHEMBL16840374 0.83 ITGB1 (0.40) ACACBCA2LMNAL3MBTL1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175530-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2015-06-25 US disclosed
US-20150175530-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2015-06-25 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-20150175530-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS ACACB 3647/4885CA2 3990/4885LMNA 3308/4885

“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.