SCHEMBL490188

SCHEMBL490188

CCC(C)CCN(C=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TACR1 P25103 1/20 0.33
NPC1 O15118 1/20 0.33
JAK2 O60674 1/20 0.33
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
CHRNB2 P17787 1/20 0.32

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
SCHEMBL709444 0.77 TP53 (0.44) ALOX15TDP1ALDH1A1GLATSHR
SCHEMBL704307 0.77 NPC1 (0.49) ALOX15TDP1TP53LMNATACR1
SCHEMBL8128151 0.76 ALDH1A1 (0.39) ALDH1A1GLATSHRTP53LMNA
SCHEMBL16414653 0.75 NPC1 (0.51) TDP1TP53LMNATACR1NPC1
SCHEMBL16415141 0.75 NPC1 (0.51) TDP1TP53LMNATACR1NPC1
SCHEMBL6484526 0.75 AOC3 (0.36) TDP1L3MBTL1ALDH1A1GLATSHR
SCHEMBL707050 0.75 NPC1 (0.51) TDP1TP53LMNATACR1NPC1
SCHEMBL16415177 0.75 NPC1 (0.51) TDP1TP53LMNATACR1NPC1
SCHEMBL7651322 0.75 NPC1 (0.51) TDP1TP53LMNATACR1NPC1
SCHEMBL3458582 0.75 NPC1 (0.51) TDP1TP53LMNATACR1NPC1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722883-B2 Pyrimidine sulphonamide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2014-05-13 US disclosed
EP-1809624-B1 PYRIMIDINE SULPHONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2013-11-20 EP disclosed
US-20130203991-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators ASTRAZENECA R&D ALDERLY PARK (GB) 2013-08-08 US disclosed
US-8410123-B2 Pyrimidine sulphonamide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2013-04-02 US disclosed
US-20130012490-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2013-01-10 US disclosed
US-8269002-B2 Pyrimidine sulphonamide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2012-09-18 US disclosed
EP-1527051-B1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-20120157431-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2012-06-21 US disclosed
US-8106063-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2012-01-31 US disclosed
US-20110124619-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2011-05-26 US disclosed
EP-1844054-A2 THIAZOLOPYRIMIDINE COMPOUNDS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2007-10-17 EP disclosed
EP-1713783-A2 SULPHONAMIDE SUBSTITUTED TRIAZINES AS CHEMOKINE RECEPTOR MODULATORS AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2006064228-A2 THIAZOLOPYRAMIDINE COMPOUNDS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2006-02-02 US disclosed
US-20060004030-A1 Pyrimidine derivatives as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2006-01-05 US disclosed
WO-2005070903-A2 SULPHONAMIDE SUBSTITUTED TRIAZINES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2005-08-04 WO disclosed
EP-1539713-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Astrazeneca AB (SE) 2005-06-15 EP disclosed
EP-1527051-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Astrazeneca AB (SE) 2005-05-04 EP disclosed
WO-2004018435-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2004-03-04 WO disclosed
WO-2004011443-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2004-02-05 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 (6 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-20120157431-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 ALOX15 2618/4885ATM 2559/4885TDP1 1417/4885
US-20060004030-A1 Pyrimidine derivatives as modulators of chemokine receptor activity CXCR2, CXCR1, ACKR3 ALOX15 1014/4885ATM 3247/4885TDP1 359/4885
US-20110124619-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 ALOX15 2618/4885ATM 2559/4885TDP1 1417/4885
US-20130203991-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 ALOX15 2618/4885ATM 2559/4885TDP1 1417/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 ALOX15 849/4885ATM 2479/4885TDP1 3869/4885
US-20130012490-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 ALOX15 2443/4885ATM 2676/4885TDP1 1297/4885

“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.