SCHEMBL17705193

SCHEMBL17705193

COC(=O)C[C@H](C)c1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.52
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 1/20 0.51
USP2 O75604 1/20 0.51
LRRK2 Q5S007 8/20 0.48
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP28 Q96RU2 1/20 0.46
USP25 Q9UHP3 1/20 0.46

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
SCHEMBL16293408 1.00 CCR5 (0.52) CCR5LMNAALDH1A1RAB9AUSP2
SCHEMBL16293409 1.00 CCR5 (0.52) CCR5LMNAALDH1A1RAB9AUSP2
SCHEMBL16294077 0.89 PTGER1 (0.54) CCR5LMNAALDH1A1RAB9AUSP2
SCHEMBL16294377 0.89 PTGER1 (0.54) CCR5LMNAALDH1A1RAB9AUSP2
SCHEMBL16294078 0.89 PTGER1 (0.54) CCR5LMNAALDH1A1RAB9AUSP2
SCHEMBL1355279 0.87 HTT (0.50) CCR5LMNAALDH1A1RAB9AUSP2
SCHEMBL8321821 0.83 CCR5 (0.54) CCR5LMNAALDH1A1RAB9AUSP2
SCHEMBL17705192 0.82 CCR5 (0.53) CCR5LMNAALDH1A1RAB9AUSP2
SCHEMBL9287833 0.82 HTT (0.46) CCR5LMNAALDH1A1RAB9AUSP2
SCHEMBL16306981 0.81 CYSLTR2 (0.51) LMNAALDH1A1RAB9ASMPD1HTT

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-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
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 3177/4885LMNA 963/4885ALDH1A1 2603/4885

“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.