SCHEMBL22928004

SCHEMBL22928004

CC(C)(C)c1cccc(NS(=O)(=O)CC2CCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.42
RORC P51449 1/20 0.41
BRS3 P32247 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
IKBKB O14920 1/20 0.40
UQCRB P14927 1/20 0.39
EPHA3 P29320 1/20 0.39
FRK P42685 1/20 0.39
MAPK14 Q16539 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL22928007 0.94 EPHA3 (0.43) RORCBRS3ALDH1A1LMNASMN1; SMN2
SCHEMBL8274370 0.79 NR3C2 (0.57) RORCLMNASMN1; SMN2HDAC3HDAC8
SCHEMBL22619016 0.79 ACLY (0.44) ACLYCA1CA2GAKSTK16
SCHEMBL22928012 0.79 EPHX2 (0.44) BRS3ALDH1A1LMNASMN1; SMN2HDAC3
SCHEMBL17404463 0.78 ACLY (0.53) ACLYALDH1A1LMNASMN1; SMN2CA1
SCHEMBL16658362 0.76 RORC (0.47) RORCSMN1; SMN2HDAC3HDAC8HDAC6
SCHEMBL22928006 0.76 EPHX2 (0.48) BRS3ALDH1A1LMNASMN1; SMN2HDAC3
SCHEMBL22928261 0.74 CYP3A4 (0.48) RORCALDH1A1HDAC3HDAC8HDAC6
SCHEMBL16658363 0.73 BRD4 (0.49) RORCALDH1A1LMNAIKBKBUQCRB
SCHEMBL4403147 0.73 NR3C2 (0.54) ALDH1A1SMN1; SMN2HDAC3HDAC8HDAC6

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-20210024498-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF MEDICONNS SHANGHAI BIOPHARMACEUTICAL CO LTD (CN) 2021-01-28 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-20210024498-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF PRLHR, DRD2, AVPR2 ACLY 4603/4885RORC 2090/4885BRS3 1434/4885

“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.