SCHEMBL22928012

SCHEMBL22928012

CC(C)(C)c1cccc(NS(=O)(=O)C2CCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
OPRM1 P35372 1/20 0.43
BRS3 P32247 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BRD4 O60885 4/20 0.42
BRPF1 P55201 2/20 0.42
UQCRB P14927 1/20 0.42
MAP2K4 P45985 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GAK O14976 1/20 0.41
STK16 O75716 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
BMP2K Q9NSY1 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL22928006 0.94 EPHX2 (0.48) EPHX2NR1H4OPRM1BRS3ALDH1A1
SCHEMBL22928004 0.79 ACLY (0.42) BRS3ALDH1A1LMNASMN1; SMN2UQCRB
SCHEMBL22619048 0.77 BRD4 (0.45) OPRM1BRD4BRPF1MAP2K4GAK
SCHEMBL13935835 0.76 UQCRB (0.49) BRS3ALDH1A1UQCRBCA1CA2
SCHEMBL4403147 0.76 NR3C2 (0.54) ALDH1A1SMN1; SMN2BRD4UQCRBCA1
SCHEMBL14582136 0.76 SMN1; SMN2 (0.59) OPRM1ALDH1A1LMNASMN1; SMN2BRD4
SCHEMBL22928007 0.75 EPHA3 (0.43) BRS3ALDH1A1LMNASMN1; SMN2UQCRB
SCHEMBL15054308 0.74 HTR6 (0.51) OPRM1ALDH1A1LMNASMN1; SMN2BRD4
SCHEMBL22268528 0.74 EPHX2 (0.51) EPHX2OPRM1ALDH1A1LMNABRD4
SCHEMBL24506805 0.73 MALT1 (0.43) EPHX2LMNARXFP1HDAC3HDAC8

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 EPHX2 4244/4885NR1H4 1490/4885OPRM1 296/4885

“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.