SCHEMBL2631356

SCHEMBL2631356

Bc1ccc2c(c1)C(C)(C)CO2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.49
RARB P10826 5/20 0.43
RARG P13631 5/20 0.43
RARA P10276 4/20 0.43
PTGS1 P23219 3/20 0.43
PTGS2 P35354 3/20 0.43
RXRA P19793 1/20 0.40
BACE1 P56817 2/20 0.31
ACACB O00763 1/20 0.31
ALOX5 P09917 2/20 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
SCHEMBL720137 0.78 NOTUM (0.50) NOTUMRARBRARGRARAPTGS1
SCHEMBL2434643 0.78 NOTUM (0.50) NOTUMRARBRARGRARAPTGS1
SCHEMBL16178963 0.77 NOTUM (0.49) NOTUMRARBRARGRARAPTGS1
SCHEMBL3421790 0.77 NOTUM (0.49) NOTUMRARBRARGRARAPTGS1
SCHEMBL2618847 0.77 BACE1 (0.50) NOTUMRARBRARGRARAPTGS1
SCHEMBL8982307 0.77 NOTUM (0.49) NOTUMRARBRARGRARAPTGS1
SCHEMBL12604316 0.74 NOTUM (0.47) NOTUMRARBRARGRARAPTGS1
SCHEMBL11455838 0.74 HTR2B (0.48) NOTUMRARBRARGRARAPTGS1
SCHEMBL12169410 0.74 NOTUM (0.47) NOTUMRARBRARGRARAPTGS1
SCHEMBL10158656 0.74 NOTUM (0.47) NOTUMRARBRARGRARAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
US-8168792-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-01 US disclosed
US-8158631-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-04-17 US disclosed
US-20100330032-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS CHIN ELBERT 2010-12-30 US disclosed
US-20100226879-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ABBOT SARAH C 2010-09-09 US disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 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 (3 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-20100226879-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, IFNAR1, RRM2B NOTUM 4530/4885RARB 142/4885RARG 534/4885
US-20100330032-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, HCCS, RTF2 NOTUM 3026/4885RARB 1174/4885RARG 1362/4885
US-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B NOTUM 3416/4885RARB 654/4885RARG 1235/4885

“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.