SCHEMBL9954690

SCHEMBL9954690

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1S(C)(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.57
AAK1 Q2M2I8 1/20 0.41
DGAT1 O75907 2/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
FFAR1 O14842 1/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
SNCA P37840 1/20 0.32

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
SCHEMBL1502534 0.88 ALPL (0.56) ALPLAAK1DGAT1CA1CA2
SCHEMBL9953472 0.85 ALPL (0.62) ALPLAAK1DGAT1CA1CA2
SCHEMBL9954248 0.85 ALPL (0.54) ALPLAAK1DGAT1CA1CA2
SCHEMBL790689 0.84 ALPL (0.51) ALPLAAK1LMNASMN1; SMN2
SCHEMBL798817 0.83 ALPL (0.60) ALPLAAK1DGAT1CA1CA2
SCHEMBL9954366 0.83 ALPL (0.50) ALPLLMNASMN1; SMN2
SCHEMBL14317978 0.83 ALPL (0.50) ALPLLMNASMN1; SMN2
SCHEMBL9953660 0.82 ALPL (0.59) ALPLAAK1DGAT1CA1CA2
SCHEMBL9954614 0.82 ALPL (0.52) ALPLAAK1DGAT1CA1CA2
SCHEMBL14317989 0.82 ALPL (0.59) ALPLAAK1DGAT1CA1CA2

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-20210179578-A1 OX1 ANTAGONISTS HEPTARES THERAPEUTICS LTD (GB) 2021-06-17 US disclosed
US-20210179578-A1 OX1 ANTAGONISTS HEPTARES THERAPEUTICS LTD (GB) 2021-06-17 US disclosed
EP-3710435-A1 OX1 ANTAGONISTS Heptares Therapeutics Limited (GB) 2020-09-23 EP disclosed
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 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 (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-20210179578-A1 OX1 ANTAGONISTS HCRTR1, HCRTR2, OXTR ALPL 4819/4885AAK1 931/4885DGAT1 2387/4885

“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.