SCHEMBL876580

SCHEMBL876580

Cc1ccc(-c2noc(COCC3(c4ccc(Cl)cc4)CCC3)n2)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.65
MAPK1 P28482 4/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
S1PR3 Q99500 3/20 0.39
TACR1 P25103 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
RAB9A P51151 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CASP3 P42574 1/20 0.36

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
SCHEMBL461306 0.79 S1PR1 (1.00) S1PR1KCNH2
SCHEMBL435485 0.78 S1PR1 (0.65) S1PR1MAPK1ALDH1A1LMNAS1PR3
SCHEMBL16649289 0.77 S1PR1 (0.84) S1PR1MAPK1ALDH1A1L3MBTL1LMNA
SCHEMBL461363 0.76 S1PR1 (0.65) S1PR1MAPK1LMNAMAPTS1PR3
SCHEMBL459570 0.72 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL16649406 0.71 S1PR1 (0.85) S1PR1S1PR3
SCHEMBL459888 0.71 S1PR1 (0.82) S1PR1S1PR3KCNH2
SCHEMBL29077275 0.71 RAB9A (0.52) MAPK1ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL460497 0.70 S1PR1 (0.82) S1PR1S1PR3
SCHEMBL460137 0.69 S1PR1 (0.62) S1PR1L3MBTL1MAPTS1PR3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619190-B1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-08-12 EP claimed
EP-2619190-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS Bristol-Myers Squibb Company (US) 2013-07-31 EP claimed
US-20130190361-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-25 US claimed
WO-2012040532-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-29 WO claimed
US-9187437-B2 Substituted oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-17 US disclosed
EP-2619190-B1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-08-12 EP disclosed
US-20130190361-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-25 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 (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-20130190361-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 S1PR1 1/4885MAPK1 691/4885ALDH1A1 1219/4885

“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.