SCHEMBL1013058

SCHEMBL1013058

CCCSc1nc(C)ncc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.51
KDM6B O15054 3/20 0.43
KDM4A O75164 3/20 0.43
KDM4D Q6B0I6 3/20 0.43
KDM3B Q7LBC6 3/20 0.43
HIF1AN Q9NWT6 3/20 0.43
KDM5B Q9UGL1 3/20 0.43
KDM2A Q9Y2K7 3/20 0.43
CYP1A2 P05177 1/20 0.41
HTT P42858 2/20 0.40
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
PRNP P04156 1/20 0.38
TSHR P16473 1/20 0.38
MAPK10 P53779 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37

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
SCHEMBL13667136 0.86 HSD11B1 (0.50) HSD11B1CYP1A2HTTPRNPTSHR
SCHEMBL1015456 0.84 RAB9A (0.45) HSD11B1KDM6BKDM4AKDM4DKDM3B
SCHEMBL1015257 0.84 HSD11B1 (0.51) HSD11B1CYP1A2TSHRSMN1; SMN2RAB9A
SCHEMBL1013198 0.81 HPGD (0.55) HSD11B1KDM6BKDM4AKDM4DKDM3B
SCHEMBL1015260 0.76 HSD11B1 (0.50) HSD11B1KDM6BKDM4AKDM4DKDM3B
SCHEMBL1013041 0.74 HSD11B1 (0.60) HSD11B1NPSR1ALDH1A1KDM4EPOLB
SCHEMBL1018091 0.73 HSD11B1 (0.46) HSD11B1HTTGAANPSR1SMN1; SMN2
SCHEMBL1015936 0.73 PTPN11 (0.47) HSD11B1SMN1; SMN2KDM4EPOLB
SCHEMBL15718403 0.71 GABRP (0.50) KDM6BKDM4AKDM4DHIF1ANKDM2A
SCHEMBL9569906 0.71 HSD17B10 (0.39) HSD11B1KDM6BKDM4AKDM4DKDM3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271629-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 AstraZeneca AB (SE) 2011-01-12 EP disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 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-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 CYP2S1, HSD11B1, HSD3B1 HSD11B1 2/4885KDM6B 2447/4885KDM4A 1888/4885

“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.