SCHEMBL22928030

SCHEMBL22928030

CC(C)(C)c1cccc(NS(=O)(=O)c2cnco2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.44
EDNRA P25101 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
UQCRB P14927 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
ALPL P05186 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
RORC P51449 1/20 0.43
IKBKB O14920 1/20 0.41
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 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
SCHEMBL22928038 0.80 CCR2 (0.47) ALDH1A1SMN1; SMN2UQCRBCA1CA2
SCHEMBL22619087 0.80 EDNRA (0.44) EDNRAKMT2APOLBCA1CA2
SCHEMBL22928039 0.77 MAPT (0.47) BRS3KMT2AALDH1A1SMN1; SMN2UQCRB
SCHEMBL22928037 0.76 UQCRB (0.44) BRS3KMT2AALDH1A1SMN1; SMN2UQCRB
SCHEMBL22928040 0.75 UQCRB (0.51) BRS3KMT2AALDH1A1SMN1; SMN2UQCRB
SCHEMBL22928032 0.74 UQCRB (0.44) BRS3KMT2AALDH1A1SMN1; SMN2UQCRB
SCHEMBL22928148 0.74 BRS3 (0.44) BRS3KMT2AALDH1A1SMN1; SMN2UQCRB
SCHEMBL7762912 0.74 KMT2A (0.47) BRS3KMT2AALDH1A1SMN1; SMN2UQCRB
SCHEMBL678551 0.73 CA1 (0.65) KMT2AALDH1A1SMN1; SMN2UQCRBPOLB
SCHEMBL4403147 0.72 NR3C2 (0.54) ALDH1A1SMN1; SMN2UQCRBPOLBCA1

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 BRS3 1434/4885EDNRA 2345/4885KMT2A 3306/4885

“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.