SCHEMBL10093807

SCHEMBL10093807

CC(C)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SI P14410 2/20 0.45
MGAM O43451 1/20 0.41
OGA O60502 6/20 0.41
GBA1 P04062 5/20 0.38
TRPA1 O75762 2/20 0.34
TRPM8 Q7Z2W7 2/20 0.34
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 1/20 0.31
PYGL P06737 1/20 0.31
GBA2 Q9HCG7 1/20 0.31

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
SCHEMBL22179332 1.00 SI (0.45) SIMGAMOGAGBA1TRPA1
SCHEMBL20273777 1.00 SI (0.45) SIMGAMOGAGBA1TRPA1
SCHEMBL12868812 1.00 SI (0.45) SIMGAMOGAGBA1TRPA1
SCHEMBL22174658 1.00 SI (0.45) SIMGAMOGAGBA1TRPA1
SCHEMBL19976403 0.98 SI (0.48) SIMGAMOGAGBA1TRPA1
SCHEMBL19590241 0.84 SI (0.48) SIMGAMOGAGBA1TRPA1
SCHEMBL23640158 0.83 SLC5A1 (0.38) SIMGAMOGASLC5A1SLC5A2
SCHEMBL23640081 0.83 SLC5A1 (0.38) SIMGAMOGASLC5A1SLC5A2
SCHEMBL15982394 0.83 TRPA1 (0.32) TRPA1TRPM8
SCHEMBL15982409 0.83 TRPA1 (0.36) SIMGAMOGAGBA1TRPA1

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
US-20170267681-A1 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES MIDCAP FINANCIAL TRUST, AS AGENT 2017-09-21 US disclosed
US-9433621-B2 Substituted pyridine and pyrimidine derivatives and their use in treating viral infections MERCK SHARP & DOHME CORP. (US) 2016-09-06 US disclosed
US-20150291596-A1 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES BIOCRYST PHARMACEUTICALS, INC. 2015-10-15 US disclosed
US-20140242027-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS SOUTHERN RESEARCH INSTITUTE (US) 2014-08-28 US disclosed
US-8791257-B2 Substituted pyrrolotriazines as protein kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-29 US disclosed
US-8541434-B2 Ethynyl-substituted pyridine and pyrimidine derivatives and their use in treating viral infections MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-8470834-B2 AZO-substituted pyridine and pyrimidine derivatives and their use in treating viral infections MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-20130023514-A1 SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-24 US disclosed
US-20120107271-A1 ETHYNYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2012-05-03 US disclosed
US-20120107271-A1 ETHYNYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2012-05-03 US disclosed
US-20110318305-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2011-12-29 US disclosed
US-20110318305-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2011-12-29 US disclosed
US-20110286965-A1 ETHENYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2011-11-24 US disclosed
US-20110286965-A1 ETHENYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2011-11-24 US disclosed
US-20110286964-A1 AZO-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2011-11-24 US disclosed
US-20110286964-A1 AZO-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2011-11-24 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 (8 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-20120107271-A1 ETHYNYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS CYP2C9, P2RX3, F12 SI 2499/4885MGAM 4675/4885OGA 4869/4885
US-20110318305-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS PNP, XDH, PNPO SI 1501/4885MGAM 4289/4885OGA 4618/4885
US-20110286965-A1 ETHENYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS CYP2C9, PNP, UGT1A3 SI 2198/4885MGAM 4587/4885OGA 4585/4885
US-20150291596-A1 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES RNGTT, DUT, RNMT SI 22/4885MGAM 1284/4885OGA 1460/4885
US-20130023514-A1 SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS STK25, MAP3K15, MAP3K5 SI 4204/4885MGAM 4063/4885OGA 4228/4885
US-20140242027-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS PNP, XDH, PNPO SI 1501/4885MGAM 4289/4885OGA 4618/4885
US-20110286964-A1 AZO-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS XDH, CYP2C9, CYP2C8 SI 235/4885MGAM 2993/4885OGA 4636/4885
US-20170267681-A1 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES RNGTT, DUT, RNMT SI 22/4885MGAM 1284/4885OGA 1460/4885

“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.