SCHEMBL3738491

SCHEMBL3738491

COC(=O)c1cc(C(F)(F)F)ccc1NS(=O)(=O)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.54
▸ KDM1A O60341 3/20 0.48
▸ MCL1 Q07820 1/20 0.43
▸ CES2 O00748 1/20 0.43
▸ PARP14 Q460N5 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ KIF11 P52732 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CA1 P00915 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
SCHEMBL23141323 0.90 CFTR (0.52) CFTRKDM1AMCL1CES2PARP14
SCHEMBL21111046 0.89 CFTR (0.57) CFTRKDM1AMCL1CES2PARP14
SCHEMBL3744782 0.87 CFTR (0.55) CFTRKDM1AMCL1CES2KDM4E
SCHEMBL13043928 0.86 KDM1A (0.50) CFTRKDM1ACES2PTPN11MEN1
SCHEMBL3738629 0.84 KDM1A (0.65) KDM1AKDM4EMEN1KMT2AALDH1A1
SCHEMBL27241 0.83 ABL1 (0.47) MEN1KMT2ALMNAMAPTCA2
SCHEMBL23877502 0.82 CFTR (0.52) CFTRKDM1AMCL1CES2PARP14
SCHEMBL23141168 0.81 KDM1A (0.61) CFTRKDM1AMEN1KMT2AGAA
SCHEMBL3528690 0.81 KDM1A (0.61) KDM1AMEN1KMT2ALMNAMAPT
SCHEMBL12863739 0.80 CFTR (0.56) CFTRKDM1ACES2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656345-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-10-16 — — EP disclosed
CN-1871215-B Cyclic derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO 2011-06-08 — — CN disclosed
US-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 — — US disclosed
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 — — US disclosed
US-7482335-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 — — US disclosed
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
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 — — US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 — — US disclosed
CN-1871215-A Cyclic derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2006-11-29 — — CN disclosed
EP-1656345-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 — — 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
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 — — US disclosed
WO-2005021500-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 — — WO 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 (4 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-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 CFTR 49/4885KDM1A 4380/4885MCL1 841/4885
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 CFTR 20/4885KDM1A 3865/4885MCL1 1274/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 CFTR 49/4885KDM1A 4380/4885MCL1 841/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 CFTR 49/4885KDM1A 4380/4885MCL1 841/4885

“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.

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