SCHEMBL9894922

SCHEMBL9894922

Cc1ccc2nc(NC(=O)C(Cc3ccc(F)cc3)c3ccc(S(C)(=O)=O)cc3)oc2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.41
GCK P35557 6/20 0.40
AKT1 P31749 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
CACNA1G O43497 1/20 0.38
KCNH2 Q12809 1/20 0.38
FFAR2 O15552 1/20 0.38
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
FBP1 P09467 2/20 0.36
PTPN1 P18031 1/20 0.36
EPHX2 P34913 2/20 0.36
RORC P51449 1/20 0.35

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
SCHEMBL9894921 0.94 FFAR2 (0.43) XDHGCKLMNATP53MAPT
SCHEMBL9896000 0.94 AKT1 (0.43) GCKAKT1PIK3CAMTORMAPT
SCHEMBL9895191 0.91 GCK (0.40) GCKAKT1PIK3CAMTORFFAR2
SCHEMBL9895303 0.90 FFAR2 (0.48) GCKAKT1PIK3CAMTORFFAR2
SCHEMBL9894828 0.89 FFAR2 (0.45) GCKAKT1PIK3CAMTORLMNA
SCHEMBL9895023 0.89 PTPN1 (0.45) GCKTP53MAPTFFAR2PTPN1
SCHEMBL9895818 0.89 PTPN1 (0.45) GCKTP53MAPTFFAR2PTPN1
SCHEMBL9895188 0.88 CTSL (0.46) GCKAKT1PIK3CAMTORLMNA
SCHEMBL9897188 0.86 PTPN2 (0.46) XDHGCKTP53MAPTFFAR2
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 XDH 129/4885GCK 1756/4885AKT1 3167/4885

“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.