SCHEMBL17700696

SCHEMBL17700696

CC(c1cc(Br)ccc1OCc1ccccc1)C(C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.52
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 2/20 0.48
USP2 O75604 1/20 0.48
LRRK2 Q5S007 7/20 0.47
PTGER1 P34995 4/20 0.46
CYP1A2 P05177 1/20 0.46
USP28 Q96RU2 1/20 0.45
USP25 Q9UHP3 1/20 0.45
HTT P42858 1/20 0.44

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
SCHEMBL17705192 0.90 CCR5 (0.53) CCR5ALDH1A1RAB9ALMNAUSP2
SCHEMBL16294701 0.89 CCR5 (0.49) CCR5ALDH1A1RAB9ALMNAUSP2
SCHEMBL7121592 0.83 LRRK2 (0.49) CCR5ALDH1A1RAB9ALMNAUSP2
SCHEMBL8166488 0.82 CCR5 (0.58) CCR5ALDH1A1RAB9ALMNAUSP2
SCHEMBL3915066 0.82 CCR5 (0.60) CCR5ALDH1A1RAB9ALMNAUSP2
SCHEMBL16294078 0.82 PTGER1 (0.54) CCR5ALDH1A1RAB9ALMNAUSP2
SCHEMBL16294077 0.82 PTGER1 (0.54) CCR5ALDH1A1RAB9ALMNAUSP2
SCHEMBL16294377 0.82 PTGER1 (0.54) CCR5ALDH1A1RAB9ALMNAUSP2
SCHEMBL1783156 0.81 CCR5 (0.49) CCR5ALDH1A1RAB9ALMNAUSP2
SCHEMBL8321821 0.81 CCR5 (0.54) CCR5ALDH1A1RAB9ALMNAUSP2

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-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 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-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 CCR5 3177/4885ALDH1A1 2603/4885RAB9A 2322/4885

“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.