SCHEMBL25834163

SCHEMBL25834163

CC(C)(C)OC(=O)NCC(CO)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.39
IDO1 P14902 2/20 0.38
HPGD P15428 2/20 0.38
SYK P43405 1/20 0.38
SERPINE1 P05121 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
SLC6A3 Q01959 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL8369512 0.90 S1PR3 (0.41) S1PR3SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL8904313 0.88 ATM (0.46) S1PR3SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL30524647 0.84 F2R (0.43) S1PR3SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL26921183 0.83 SMN1; SMN2 (0.41) S1PR3SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL1457030 0.82 AKR1C3 (0.43) S1PR3SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL8590813 0.82 S1PR3 (0.37) S1PR3SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL7825061 0.81 SYK (0.43) SYKSERPINE1MEN1KMT2A
SCHEMBL7837084 0.81 SYK (0.43) SYKSERPINE1MEN1KMT2A
SCHEMBL5693123 0.81 MCHR1 (0.42) S1PR3SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL1456286 0.81 SLC6A3 (0.44) S1PR3SMN1; SMN2ALDH1A1LMNAHTT

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-20230227451-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV DISCOVERY (FR) 2023-07-20 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-20230227451-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK7 S1PR3 1857/4885SMN1; SMN2 4206/4885ALDH1A1 843/4885

“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.