SCHEMBL5031966

SCHEMBL5031966

COc1cc(NC(=O)CC(=O)O)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
ALDH1A1 P00352 2/20 0.53
TMPRSS4 Q9NRS4 2/20 0.53
EPHX2 P34913 1/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.53
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
P2RX1 P51575 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ACP1 P24666 1/20 0.48
MAPT P10636 1/20 0.47
TACR1 P25103 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GPR35 Q9HC97 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
SCHEMBL5142357 0.93 POLB (0.57) LMNAALDH1A1TMPRSS4EPHX2POLB
SCHEMBL7933590 0.86 TMPRSS4 (0.53) LMNAALDH1A1TMPRSS4EPHX2POLB
SCHEMBL6011964 0.86 TMPRSS4 (0.53) LMNAALDH1A1TMPRSS4EPHX2POLB
SCHEMBL4763294 0.82 TMPRSS4 (0.57) LMNATMPRSS4EPHX2POLBKMT2A
SCHEMBL30573045 0.81 KMT2A (0.57) LMNAALDH1A1POLBKMT2AL3MBTL1
SCHEMBL26607013 0.81 KMT2A (0.57) LMNAALDH1A1POLBKMT2AL3MBTL1
SCHEMBL687061 0.78 LMNA (0.54) LMNAALDH1A1KMT2AP2RX1ACP1
SCHEMBL1012287 0.77 ALDH1A1 (0.57) LMNAALDH1A1TMPRSS4EPHX2POLB
SCHEMBL5474295 0.76 TMPRSS4 (0.52) ALDH1A1TMPRSS4EPHX2POLBKMT2A
SCHEMBL5474298 0.76 TMPRSS4 (0.52) ALDH1A1TMPRSS4EPHX2POLBKMT2A

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 LMNA 4639/4885ALDH1A1 827/4885TMPRSS4 729/4885

“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.