SCHEMBL1815313

SCHEMBL1815313

O=C1CCCc2nc(OS(=O)(=O)C(F)(F)F)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.44
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
MAPT P10636 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TSHR P16473 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAP4K1 Q92918 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 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
SCHEMBL21369701 0.77 GRM5 (0.43) GRM5SMN1; SMN2MAOAMAOBMAPT
SCHEMBL2485416 0.74 GRM5 (0.48) GRM5SMN1; SMN2MAOAMAOBMAPT
SCHEMBL30132531 0.73 MAOA (0.47) GRM5MAOAMAOBMAPTNPSR1
SCHEMBL20554683 0.73 MAOA (0.47) GRM5MAOAMAOBMAPTNPSR1
SCHEMBL315565 0.72 MAOB (0.55) GRM5MAOAMAOB
SCHEMBL4423448 0.72 GRM5 (0.54) GRM5SMN1; SMN2MAOAMAOBMAPT
SCHEMBL20722440 0.72 DRD2 (0.33) CA1CA2
SCHEMBL30968515 0.72 DRD2 (0.33) CA1CA2
SCHEMBL16799581 0.72 DRD2 (0.32) MAPTALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL16499656 0.71 MAOB (0.40) GRM5MAOAMAOBNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed
EP-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
EP-2592071-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-15 EP disclosed
EP-2493866-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2012-09-05 EP disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
WO-2011059784-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2011059784-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 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-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, TBXA2R GRM5 799/4885CA1 4082/4885CA2 2699/4885

“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.