SCHEMBL51920

SCHEMBL51920

O=C(O)C1CC(C(=O)O)CN(Cc2ccccc2)C1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 13/20 0.81
S1PR1 P21453 10/20 0.81
S1PR3 Q99500 2/20 0.57
S1PR4 O95977 1/20 0.57
GRK5 P34947 1/20 0.57
CDK8 P49336 1/20 0.57
FUCA1 P04066 2/20 0.56

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
SCHEMBL565212 0.93 S1PR5 (0.87) S1PR5S1PR1S1PR3S1PR4GRK5
SCHEMBL30500506 0.90 S1PR5 (0.72) S1PR5S1PR1S1PR3S1PR4GRK5
SCHEMBL1438433 0.90 S1PR5 (0.72) S1PR5S1PR1S1PR3S1PR4GRK5
SCHEMBL3027737 0.90 S1PR5 (1.00) S1PR5S1PR1S1PR3S1PR4GRK5
SCHEMBL5636102 0.89 S1PR5 (0.67) S1PR5S1PR1S1PR3S1PR4GRK5
SCHEMBL1439660 0.89 S1PR5 (0.70) S1PR5S1PR1S1PR3S1PR4GRK5
SCHEMBL2330642 0.87 S1PR5 (0.68) S1PR5S1PR1FUCA1
SCHEMBL5639896 0.86 S1PR5 (0.76) S1PR5S1PR1
SCHEMBL6745182 0.85 S1PR5 (0.65) S1PR5S1PR1FUCA1
SCHEMBL3042076 0.83 S1PR1 (0.77) S1PR5S1PR1S1PR3S1PR4

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
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
EP-2280981-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-02-09 EP disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG S1PR5 4454/4885S1PR1 4182/4885S1PR3 4410/4885

“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.