SCHEMBL5029374

SCHEMBL5029374

CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)OCc2ccccc2)[C@H](C(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
GAA P10253 1/20 0.44
F2 P00734 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 2/20 0.42
CTSL P07711 1/20 0.41
CPB1 P15086 1/20 0.41
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.40
FKBP1A P62942 1/20 0.40

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
SCHEMBL1366445 0.82 CTSL (0.45) ALDH1A1F2TSHRCTSLCPB1
SCHEMBL1366446 0.82 CTSL (0.45) ALDH1A1F2TSHRCTSLCPB1
SCHEMBL20581107 0.81 ALDH1A1 (0.55) ALDH1A1GAAF2NPC1RAB9A
SCHEMBL21984268 0.81 ALDH1A1 (0.55) ALDH1A1GAAF2NPC1RAB9A
SCHEMBL21361580 0.81 ALDH1A1 (0.55) ALDH1A1GAAF2NPC1RAB9A
SCHEMBL25245808 0.80 ALDH1A1 (0.56) ALDH1A1GAAF2NPC1RAB9A
SCHEMBL1297691 0.80 BTK (0.44) SMN1; SMN2HPGD
SCHEMBL12986807 0.80 ALDH1A1 (0.56) ALDH1A1GAAF2NPC1RAB9A
SCHEMBL12986806 0.80 ALDH1A1 (0.56) ALDH1A1GAAF2NPC1RAB9A
SCHEMBL22985848 0.79 TSHR (0.45) ALDH1A1GAANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
EP-1656138-A4 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-04-18 EP disclosed
EP-1656138-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
WO-2005020899-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 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-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 ALDH1A1 827/4885GAA 4005/4885F2 4147/4885

“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.