SCHEMBL10186008

SCHEMBL10186008

CCCCOCC1=C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.36
NAE1 Q13564 5/20 0.35
UBA3 Q8TBC4 4/20 0.35
CA2 P00918 2/20 0.35
UBA6 A0AVT1 2/20 0.35
SAE1 Q9UBE0 2/20 0.35
GRK5 P34947 1/20 0.35
CSNK1A1 P48729 1/20 0.35
NEDD8 Q15843 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
ATG7 O95352 1/20 0.35
UBA7 P41226 1/20 0.35
P2RX7 Q99572 2/20 0.35
CACNA2D1 P54289 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL10183394 1.00 EGFR (0.36) EGFRNAE1UBA3CA2UBA6
SCHEMBL865919 0.89 P2RX7 (0.40) EGFRNAE1UBA3CA2UBA6
SCHEMBL865948 0.89 P2RX7 (0.40) EGFRNAE1UBA3CA2UBA6
SCHEMBL10149505 0.89 MEN1 (0.38) EGFRNAE1UBA3CA2UBA6
SCHEMBL10186014 0.79 EGFR (0.39) EGFRNAE1UBA3CA2UBA6
SCHEMBL10184142 0.78 EGFR (0.40) EGFRNAE1UBA3CA2UBA6
SCHEMBL865942 0.73 NAE1 (0.43) NAE1UBA3CA2UBA6SAE1
SCHEMBL865556 0.70 EGFR (0.41) EGFRNAE1CA2GRK5CSNK1A1
SCHEMBL865555 0.70 EGFR (0.41) EGFRNAE1CA2GRK5CSNK1A1
SCHEMBL866608 0.69 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 EGFR 3897/4885NAE1 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.