SCHEMBL844456

SCHEMBL844456

CCc1nccc(Cl)c1CO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.37
NOTUM Q6P988 1/20 0.35
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
GCGR P47871 1/20 0.33
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
PDXK O00764 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC22A12 Q96S37 2/20 0.32
GRM4 Q14833 1/20 0.31
S1PR4 O95977 1/20 0.30
MAPT P10636 1/20 0.30
F2RL1 P55085 1/20 0.30

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
SCHEMBL31753568 0.86 NOS3 (0.39) PDE3BPDE3ANOS3NOS2SLC22A12
SCHEMBL844767 0.81 PDE3B (0.34) PDE3BPDE3ANOS3NOS2S1PR4
SCHEMBL844233 0.78 PDE3B (0.39) RECQLALDH1A1L3MBTL1PDE3BPDE3A
SCHEMBL20818525 0.78 NOS2 (0.50) RECQLALDH1A1L3MBTL1PDE3BPDE3A
SCHEMBL9846961 0.77 NOS2 (0.40) ALDH1A1L3MBTL1PDE3BPDE3AGCGR
SCHEMBL31150936 0.76 KDM4E (0.41) RECQLNOTUMALDH1A1KMT2AMEN1
SCHEMBL321063 0.75 PDXK (0.44) RECQLNOTUMALDH1A1L3MBTL1KMT2A
SCHEMBL1856394 0.75 PDE3B (0.38) ALDH1A1L3MBTL1PDE3BPDE3ANOS3
SCHEMBL30082513 0.75 PDXK (0.44) RECQLNOTUMALDH1A1L3MBTL1KMT2A
SCHEMBL31214470 0.74 PDE10A (0.38) ALDH1A1L3MBTL1PDE3BPDE3AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-9040538-B2 Pyrimidines as novel therapeutic agents UNIVERSITE LAVAL (CA) 2015-05-26 US disclosed
EP-2432776-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS Chlorion Pharma, Inc. (CA) 2012-03-28 EP disclosed
US-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITE LAVAL (CA) 2010-11-25 US disclosed
WO-2010132999-A1 METHYL SULFANYL PYRMIDMES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS CHLORION PHARMA, INC. (CA) 2010-11-25 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 (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-20100298336-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP RECQL 611/4885NOTUM 3959/4885ALDH1A1 577/4885
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP RECQL 611/4885NOTUM 3959/4885ALDH1A1 577/4885

“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.