SCHEMBL12340424

SCHEMBL12340424

O=C(N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](ON=C3c4ccccc4-c4ccccc43)CN2C1=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.39
▸ ADRB3 P13945 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ CTSS P25774 1/20 0.32
▸ CYP3A4 P08684 2/20 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
SCHEMBL3067097 0.88 CTSB (0.42) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL3067090 0.88 CTSB (0.42) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL12340397 0.84 CTSB (0.41) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL8110815 0.83 CYP3A4 (0.41) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL7816023 0.83 CYP3A4 (0.41) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL8170871 0.78 CTSB (0.45) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL12340378 0.78 ADRB3 (0.41) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13781368 0.77 ADRB3 (0.39) CTSBADRB3ADRA2BADRA2C
SCHEMBL12340380 0.77 ADRB3 (0.46) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13221905 0.76 CTSB (0.37) CTSBADRB3ADRA2BADRA2CCTSS

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-8268777-B2 Oximyl macrocyclic derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-09-18 — — US disclosed
US-20090191153-A1 OXIMYL MACROCYCLIC DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-30 — — 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-20090191153-A1 OXIMYL MACROCYCLIC DERIVATIVES CYP3A4, CYP4A22, HCCS CTSB 158/4885ADRB3 4195/4885ADRA2B 4553/4885

“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.

Send feedback