SCHEMBL6317664

SCHEMBL6317664

CS(=O)(=O)Nc1onc(-c2ccccn2)c1C(=O)O.c1cc2cc-2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.40
EDNRB P24530 5/20 0.40
KAT6A Q92794 2/20 0.39
LDHA P00338 1/20 0.38
PFKFB3 Q16875 1/20 0.37
GABRA5 P31644 1/20 0.37
PIK3CD O00329 1/20 0.36
PTPN1 P18031 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KDM6B O15054 1/20 0.35
KDM4A O75164 1/20 0.35
KDM5C P41229 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
KDM3A Q9Y4C1 1/20 0.35
GRM5 P41594 2/20 0.35
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
TP53 P04637 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
SCHEMBL6316907 0.93 EDNRA (0.43) EDNRAEDNRBPFKFB3GABRA5KDM4E
SCHEMBL6315510 0.90 MEN1 (0.40) EDNRAEDNRBKAT6APIK3CDGRM5
SCHEMBL6316904 0.85 ALDH1A1 (0.45) GABRA5KDM4ETSHRNPC1TP53
SCHEMBL6318219 0.83 EDNRA (0.42) EDNRAEDNRBGABRA5KDM4EGRM5
SCHEMBL6324589 0.82 EDNRA (0.48) EDNRAEDNRBKAT6A
SCHEMBL6321309 0.78 FYN (0.40) EDNRAEDNRBKAT6APTPN1TSHR
SCHEMBL6317657 0.78 GLO1 (0.41) EDNRAGABRA5KDM4ESMN1; SMN2
SCHEMBL6315797 0.76 KDM4E (0.51) EDNRAPFKFB3KDM4ETSHRTP53
SCHEMBL6318435 0.76 KDM4E (0.57) KDM4ERAB9A
SCHEMBL6324666 0.76 GAA (0.42) EDNRAKDM4ETSHRPKMSMN1; SMN2

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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed

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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 EDNRA 4545/4885EDNRB 4597/4885KAT6A 1164/4885

“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.