SCHEMBL9912336

SCHEMBL9912336

CCCNCc1ccc(-c2noc(C(Cc3ccc(C)c(C)c3)c3cccc(C(F)(F)F)c3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.42
HDAC1 Q13547 11/20 0.40
HDAC6 Q9UBN7 11/20 0.40
HDAC5 Q9UQL6 10/20 0.40
HDAC8 Q9BY41 5/20 0.40

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
SCHEMBL9104686 0.90 PTPN1 (0.46) PTPN1HDAC1HDAC6HDAC5HDAC8
SCHEMBL9104995 0.86 PTPN1 (0.46) PTPN1HDAC1HDAC6HDAC5HDAC8
SCHEMBL27920264 0.82 PTPN1 (0.46) PTPN1HDAC1HDAC6HDAC5HDAC8
SCHEMBL9912337 0.80 PTPN1 (0.44) PTPN1HDAC1HDAC6HDAC8
SCHEMBL9280647 0.79 PTPN1 (0.44) PTPN1
SCHEMBL9100890 0.79 PTPN1 (0.48) PTPN1
SCHEMBL9104545 0.79 S1PR5 (0.53)
SCHEMBL9913930 0.78 PTPN1 (0.44) PTPN1
SCHEMBL10032054 0.78 MDM2 (0.35) HDAC1HDAC6HDAC5HDAC8
SCHEMBL9103709 0.77 S1PR1 (0.55) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142639-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 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-20120142639-A1 OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR3, S1PR1, S1PR2 PTPN1 1043/4885HDAC1 1239/4885HDAC6 1450/4885

“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.