SCHEMBL865948

SCHEMBL865948

O[C@@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C=C1COCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.40
NAE1 Q13564 5/20 0.37
UBA3 Q8TBC4 4/20 0.37
CA2 P00918 2/20 0.37
UBA6 A0AVT1 2/20 0.37
SAE1 Q9UBE0 2/20 0.37
GRK5 P34947 1/20 0.37
CSNK1A1 P48729 1/20 0.37
NEDD8 Q15843 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
ATG7 O95352 1/20 0.37
UBA7 P41226 1/20 0.37
EGFR P00533 1/20 0.35
ATM Q13315 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
SCHEMBL865919 1.00 P2RX7 (0.40) P2RX7NAE1UBA3CA2UBA6
SCHEMBL10183394 0.89 EGFR (0.36) P2RX7NAE1UBA3CA2UBA6
SCHEMBL10186008 0.89 EGFR (0.36) P2RX7NAE1UBA3CA2UBA6
SCHEMBL10149505 0.88 MEN1 (0.38) P2RX7NAE1UBA3CA2UBA6
SCHEMBL866996 0.79 EGFR (0.38) P2RX7NAE1UBA3CA2UBA6
SCHEMBL866971 0.78 AURKA (0.40) P2RX7NAE1UBA3CA2UBA6
SCHEMBL865942 0.75 NAE1 (0.43) NAE1UBA3CA2UBA6SAE1
SCHEMBL865555 0.72 EGFR (0.41) P2RX7NAE1CA2GRK5CSNK1A1
SCHEMBL865556 0.72 EGFR (0.41) P2RX7NAE1CA2GRK5CSNK1A1
SCHEMBL867046 0.71 NAE1 (0.61) NAE1UBA3CA2UBA6SAE1

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-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 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-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES NEDD8, NAE1, UBA3 P2RX7 3759/4885NAE1 2/4885UBA3 3/4885

“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.