SCHEMBL9968876

SCHEMBL9968876

CC(=O)NCc1cc(-c2nc(-c3ccc(C(=O)O)c(F)c3)no2)ccc1N1CCCCC1C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.49
TP53 P04637 2/20 0.49
POLB P06746 1/20 0.46
S1PR3 Q99500 1/20 0.42
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL9968877 0.93 S1PR1 (0.51) S1PR1TP53POLBS1PR3RARA
SCHEMBL9968875 0.89 S1PR1 (0.52) S1PR1TP53POLBS1PR3RARA
SCHEMBL9968878 0.89 S1PR1 (0.52) S1PR1TP53POLBS1PR3RARA
SCHEMBL9968879 0.88 S1PR1 (0.51) S1PR1TP53POLBS1PR3RARA
SCHEMBL2810611 0.87 S1PR1 (0.54) S1PR1TP53POLBS1PR3RARA
SCHEMBL2774599 0.86 S1PR1 (0.53) S1PR1TP53POLBRARARARB
SCHEMBL13875195 0.85 S1PR1 (0.53) S1PR1TP53POLBRARARARB
SCHEMBL2774214 0.83 TP53 (0.71) S1PR1TP53POLB
SCHEMBL2774195 0.83 S1PR1 (0.67) S1PR1TP53POLBRARARARB
SCHEMBL2807867 0.82 S1PR1 (0.52) S1PR1TP53POLBS1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 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-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 S1PR1 483/4885TP53 2578/4885POLB 1303/4885

“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.