SCHEMBL24650608

SCHEMBL24650608

CC[C@H](CNC(=O)OC(C)(C)C)Oc1ccc2ccccc2c1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 4/20 0.46
SYK P43405 1/20 0.41
NQO2 P16083 1/20 0.41
KDM4A O75164 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
SERPINE1 P05121 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL29442681 1.00 NCEH1 (0.46) NCEH1SYKNQO2KDM4ACTSS
SCHEMBL22721522 0.91 SYK (0.44) NCEH1SYKNQO2KDM4ACTSS
SCHEMBL22721523 0.91 SYK (0.44) NCEH1SYKNQO2KDM4ACTSS
SCHEMBL29442691 0.81 KDM4A (0.43) SYKNQO2KDM4ACTSSCTSK
SCHEMBL24650195 0.81 KDM4A (0.43) SYKNQO2KDM4ACTSSCTSK
SCHEMBL24650176 0.80 NCEH1 (0.54) NCEH1SMN1; SMN2HPGDNPC1MAPT
Hydrochloric Acid SCHEMBL28705662 0.79 NCEH1 (0.53) NCEH1SMN1; SMN2HPGDNPC1MAPT
Hydrochloric Acid SCHEMBL28705663 0.79 NCEH1 (0.53) NCEH1SMN1; SMN2HPGDNPC1MAPT
SCHEMBL22743892 0.78 NCEH1 (0.50) NCEH1NQO2HPGDDRD2
SCHEMBL24650612 0.75 POLB (0.36) SYKNQO2KDM4ASERPINE1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220259223-A1 BENZOTRIAZOLE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2022-08-18 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-20220259223-A1 BENZOTRIAZOLE DERIVATIVE KEAP1, NFE2L2, BACH1 NCEH1 3445/4885SYK 3268/4885NQO2 391/4885

“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.