SCHEMBL4476254

SCHEMBL4476254

CCC(C(=O)O)c1csc(C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
ECE1 P42892 1/20 0.40
KDM4A O75164 1/20 0.38
KDM4B O94953 1/20 0.38
KDM5C P41229 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
AKR1C1 Q04828 1/20 0.36
PTGS1 P23219 1/20 0.36
MAPT P10636 2/20 0.35
HIF1A Q16665 1/20 0.35
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL11922835 0.87 TDP1 (0.38) POLBECE1KDM4AKDM4BKDM5C
SCHEMBL14215420 0.84 PDE5A (0.46) POLBECE1KDM4AKDM4BKDM5C
SCHEMBL25413695 0.82 ECE1 (0.37) POLBECE1KDM4AKDM4BKDM5C
SCHEMBL999291 0.81 GABRA5 (0.45) POLBKDM4AKDM4BKDM5CKDM5B
SCHEMBL1548495 0.81 DAO (0.39) POLBAKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL27858551 0.79 SMN1; SMN2 (0.36) POLBECE1RAB9AKDM4EGAA
SCHEMBL5627029 0.75 POLB (0.40) POLBKDM4EGAASMN1; SMN2MAPT
SCHEMBL7382345 0.75 CTSK (0.41) RAB9AHTTNPC1SMN1; SMN2MAPT
SCHEMBL16019042 0.75 KDM4E (0.39) POLBECE1KDM4AKDM4BKDM5C
SCHEMBL26742797 0.74 SMN1; SMN2 (0.33) POLBRAB9AKDM4EGAANPC1

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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 US disclosed
US-7528148-B2 Pyrazolo[3,4-B]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
EP-1881988-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-01-30 EP disclosed
WO-2006122200-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 WO disclosed
US-20060252790-A1 Pyrazolo [3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2006-11-09 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 (2 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-20060252790-A1 Pyrazolo [3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors PDE4A, PDE4B, PDE3B POLB 1759/4885ECE1 904/4885KDM4A 420/4885
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 POLB 4867/4885ECE1 2478/4885KDM4A 3940/4885

“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.