SCHEMBL22928148

SCHEMBL22928148

CC(C)(C)c1cccc(NS(=O)(=O)c2cncs2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.44
UQCRB P14927 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALPL P05186 2/20 0.44
MAPT P10636 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 2/20 0.43
IKBKB O14920 1/20 0.41
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 0.41
CCNA2 P20248 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
SCHEMBL22618989 0.81 HPGD (0.43) KMT2AALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL7763401 0.80 HPGD (0.68) KMT2AALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL22928036 0.77 UQCRB (0.45) BRS3KMT2AALDH1A1UQCRBPOLB
SCHEMBL22928151 0.74 SLC40A1 (0.48) BRS3KMT2AALDH1A1UQCRBPOLB
SCHEMBL22928030 0.74 BRS3 (0.44) BRS3KMT2AALDH1A1UQCRBPOLB
SCHEMBL22928035 0.74 UQCRB (0.44) BRS3KMT2AALDH1A1UQCRBPOLB
SCHEMBL22928033 0.74 CDK1 (0.50) BRS3KMT2AALDH1A1UQCRBPOLB
SCHEMBL7762912 0.74 KMT2A (0.47) BRS3KMT2AALDH1A1UQCRBPOLB
SCHEMBL678551 0.73 CA1 (0.65) KMT2AALDH1A1UQCRBPOLBHTT
SCHEMBL22928034 0.72 UQCRB (0.45) BRS3KMT2AALDH1A1UQCRBPOLB

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 1434/4885KMT2A 3306/4885ALDH1A1 1570/4885

“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.