SCHEMBL6413430

SCHEMBL6413430

COc1ccc(C(CCN2CCC3(CC2)CCN(Cc2ccc(S(C)(=O)=O)cc2)C3=O)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.41
MMP9 P14780 13/20 0.40
MMP13 P45452 13/20 0.40
MMP1 P03956 12/20 0.40
ADAM17 P78536 11/20 0.40
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL6408359 0.94 ALDH1A1 (0.41) CCR5MMP9MMP13MMP1ADAM17
SCHEMBL6411170 0.93 CCR5 (0.44) CCR5MMP9MMP13MMP1ADAM17
SCHEMBL6409151 0.93 CCR5 (0.44) CCR5MMP9MMP13MMP1ADAM17
SCHEMBL6408481 0.92 DRD2 (0.41) CCR5
Hydrochloric Acid SCHEMBL5256271 0.92 CCR5 (0.43) CCR5MMP9MMP13MMP1ADAM17
SCHEMBL6408483 0.92 CCR2 (0.44) CCR5ALDH1A1
SCHEMBL6412914 0.92 CCR2 (0.44) CCR5ALDH1A1
SCHEMBL6409321 0.91 UTS2R (0.42) CCR5MMP9MMP13MMP1ADAM17
SCHEMBL6414389 0.90 CCR5 (0.37) CCR5ALDH1A1
SCHEMBL6412239 0.90 CCR5 (0.45) CCR5MMP9MMP13MMP1ADAM17

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-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA INC (CA) 2005-04-07 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-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR4, CXCR2 CCR5 4/4885MMP9 884/4885MMP13 1146/4885

“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.