SCHEMBL9895191

SCHEMBL9895191

CS(=O)(=O)c1ccc(C(Cc2ccc(F)cc2)C(=O)Nc2nc3ccc(CO)cc3o2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.40
AKT1 P31749 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
FFAR2 O15552 1/20 0.38
PTPN1 P18031 2/20 0.36
EPHX2 P34913 2/20 0.36
FBP1 P09467 1/20 0.36
CYP2C9 P11712 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
GALK1 P51570 2/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
GFER P55789 1/20 0.34

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
SCHEMBL9896000 0.94 AKT1 (0.43) GCKAKT1PIK3CAMTORFFAR2
SCHEMBL9894922 0.91 XDH (0.41) GCKAKT1PIK3CAMTORFFAR2
SCHEMBL9895303 0.90 FFAR2 (0.48) GCKAKT1PIK3CAMTORFFAR2
SCHEMBL9895818 0.89 PTPN1 (0.45) GCKFFAR2PTPN1EPHX2GALK1
SCHEMBL9894828 0.89 FFAR2 (0.45) GCKAKT1PIK3CAMTORFFAR2
SCHEMBL9895023 0.89 PTPN1 (0.45) GCKFFAR2PTPN1EPHX2GALK1
SCHEMBL9895188 0.88 CTSL (0.46) GCKAKT1PIK3CAMTORFFAR2
SCHEMBL9894665 0.87 CYP2C9 (0.36) GCKAKT1PIK3CAMTORFFAR2
SCHEMBL9894921 0.86 FFAR2 (0.43) GCKFFAR2EPHX2FBP1CYP2C9
SCHEMBL9895418 0.86 EPHX2 (0.41) GCKAKT1PIK3CAMTORFFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 US claimed
US-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 US disclosed
US-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 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-20120149718-A1 Amido Compounds P2RX7, P2RX3, P2RX2 GCK 1756/4885AKT1 3167/4885PIK3CA 1346/4885

“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.