SCHEMBL6207997

SCHEMBL6207997

CCC(O)C1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.49
BRD4 O60885 1/20 0.36
HCRTR2 O43614 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD11B2 P80365 1/20 0.32
NR1H2 P55055 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 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
SCHEMBL6474926 1.00 SPHK1 (0.49) SPHK1BRD4HCRTR2CHRM2CHRM1
SCHEMBL16186835 0.90 SPHK1 (0.50) SPHK1BRD4HCRTR2CHRM2CHRM1
SCHEMBL18826477 0.90 SPHK1 (0.50) SPHK1BRD4HCRTR2CHRM2CHRM1
SCHEMBL19131760 0.90 SPHK1 (0.50) SPHK1BRD4HCRTR2CHRM2CHRM1
SCHEMBL14569203 0.89 SPHK1 (0.49) SPHK1BRD4HCRTR2CHRM2CHRM1
SCHEMBL31526733 0.87 SPHK1 (0.45) SPHK1BRD4HCRTR2CHRM2CHRM1
SCHEMBL15925967 0.85 SPHK1 (0.48) SPHK1BRD4HCRTR2CHRM2CHRM1
SCHEMBL16028097 0.85 SPHK1 (0.57) SPHK1BRD4
SCHEMBL16053954 0.85 SPHK1 (0.57) SPHK1BRD4
SCHEMBL16070815 0.85 SPHK1 (0.57) SPHK1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2685982-B1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL MYERS SQUIBB CO (US) 2017-07-05 EP disclosed
EP-2685982-B1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL MYERS SQUIBB CO (US) 2017-07-05 EP disclosed
US-9221826-B2 Pyrrolopyridazine JAK3 inhibitors and their use for the treatment of inflammatory and autoimmune diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
EP-2685982-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES Bristol-Myers Squibb Company (US) 2014-01-22 EP disclosed
US-20140005146-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2014-01-02 US disclosed
WO-2012125887-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 WO disclosed
CN-1671690-A Antimicrobial azabicyclic derivatives, compositions and uses thereof PROCTER & GAMBLE (US) 2005-09-21 CN disclosed
EP-1341781-B1 ANTIMICROBIAL QUINOLONES PROCTER & GAMBLE (US) 2005-09-14 EP disclosed
US-6900224-B2 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY (US) 2005-05-31 US disclosed
EP-1532137-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2005-05-25 EP disclosed
US-20040038975-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2004-02-26 US disclosed
WO-2004014893-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2004-02-19 WO disclosed
US-20040029882-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE CO. 2004-02-12 US disclosed
US-6645981-B2 For therapy of microbial infection THE PROCTER & GAMBLE COMPANY 2003-11-11 US disclosed
EP-1341781-A1 ANTIMICROBIAL QUINOLONES THE PROCTER & GAMBLE COMPANY (US) 2003-09-10 EP disclosed
US-20030008894-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2003-01-09 US disclosed
WO-2002048138-A1 ANTIMICROBIAL QUINOLONES THE PROCTER & GAMBLE COMPANY (US) 2002-06-20 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 (4 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-20040038975-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 SPHK1 4612/4885BRD4 1366/4885HCRTR2 4592/4885
US-20140005146-A1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES JAK3, JAK1, JAK2 SPHK1 897/4885BRD4 619/4885HCRTR2 4862/4885
US-20030008894-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 SPHK1 4612/4885BRD4 1366/4885HCRTR2 4592/4885
US-20040029882-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 SPHK1 4612/4885BRD4 1366/4885HCRTR2 4592/4885

“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.