SCHEMBL4855734

SCHEMBL4855734

C[Si](C)(C)CCOC(=O)[C@H](Cc1cc(Br)ccc1OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.47
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
PTGER1 P34995 5/20 0.44
CYP1A2 P05177 1/20 0.44
USP28 Q96RU2 1/20 0.44
USP25 Q9UHP3 1/20 0.44
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
USP2 O75604 1/20 0.42
AAK1 Q2M2I8 1/20 0.42

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
SCHEMBL27696917 1.00 CCR5 (0.47) CCR5ALDH1A1RAB9APTGER1CYP1A2
SCHEMBL6245251 0.89 CTSS (0.43) ALDH1A1LMNAHTTCTSLCTSB
SCHEMBL1024116 0.89 CTSS (0.43) ALDH1A1LMNAHTTCTSLCTSB
SCHEMBL1023505 0.87 CCR5 (0.53) CCR5ALDH1A1RAB9APTGER1CYP1A2
SCHEMBL5157777 0.85 NOS1 (0.41) HTTCTSLCTSBCTSSCTSK
Hydrochloric Acid SCHEMBL5571043 0.84 NOS1 (0.40) HTTCTSLCTSBCTSSCTSK
SCHEMBL4847576 0.84 TACR1 (0.47) CTSLCTSBCTSSCTSK
SCHEMBL1023687 0.84 TACR1 (0.47) CTSLCTSBCTSSCTSK
Hydrochloric Acid SCHEMBL1021511 0.84 NOS1 (0.40) HTTCTSLCTSBCTSSCTSK
SCHEMBL4878208 0.84 CTSL (0.39) ALDH1A1LMNAHTTCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446102-B2 Antibacterial amide macrocycles IV AICURIS GMBH & CO. KG (DE) 2008-11-04 US disclosed
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO. KG (DE) 2008-03-27 US disclosed
US-20050256037-A1 Antibacterial amide macrocyles BAYER HEALTHCARE AG (DE) 2005-11-17 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 (2 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-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC CCR5 2756/4885ALDH1A1 3227/4885RAB9A 2351/4885
US-20050256037-A1 Antibacterial amide macrocyles AADAC, PAM, NOD2 CCR5 3965/4885ALDH1A1 3883/4885RAB9A 2364/4885

“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.