SCHEMBL866172

SCHEMBL866172

O=C(O)c1ccccc1[C@H]1C[C@@H](c2ccc3c(N[C@H]4CCc5ccccc54)ncnn23)CC1COCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.41
RPS6KB1 P23443 3/20 0.41
NAE1 Q13564 7/20 0.38
UBA3 Q8TBC4 5/20 0.38
UBA6 A0AVT1 3/20 0.38
SAE1 Q9UBE0 3/20 0.38
CA2 P00918 2/20 0.38
GRK5 P34947 1/20 0.38
CSNK1A1 P48729 1/20 0.38
NEDD8 Q15843 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
AURKB Q96GD4 1/20 0.36
ATG7 O95352 1/20 0.36
UBA7 P41226 1/20 0.36
ATM Q13315 1/20 0.35
P2RX7 Q99572 2/20 0.34
EGFR P00533 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL867870 1.00 AURKA (0.41) AURKARPS6KB1NAE1UBA3UBA6
SCHEMBL866357 1.00 AURKA (0.41) AURKARPS6KB1NAE1UBA3UBA6
SCHEMBL867518 0.89 AURKA (0.42) AURKARPS6KB1NAE1UBA3UBA6
SCHEMBL865690 0.89 AURKA (0.42) AURKARPS6KB1NAE1UBA3UBA6
SCHEMBL865852 0.88 NAE1 (0.51) AURKARPS6KB1NAE1UBA3UBA6
SCHEMBL866360 0.83 AURKA (0.38) AURKARPS6KB1NAE1UBA3UBA6
SCHEMBL866996 0.77 EGFR (0.38) AURKARPS6KB1NAE1UBA3UBA6
SCHEMBL10185761 0.76 NAE1 (0.36) AURKARPS6KB1NAE1UBA3UBA6
SCHEMBL10149373 0.75 EGFR (0.39) AURKARPS6KB1NAE1UBA3UBA6
SCHEMBL866780 0.75 NAE1 (0.64) NAE1UBA3UBA6SAE1CA2

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 AURKA 3108/4885RPS6KB1 2781/4885NAE1 2/4885

“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.