SCHEMBL22928151

SCHEMBL22928151

CC(C)(C)c1cccc(NS(=O)(=O)c2nccs2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.48
UQCRB P14927 1/20 0.44
EGFR P00533 1/20 0.44
TNNI3K Q59H18 1/20 0.44
CDK1 P06493 2/20 0.43
CCNB1 P14635 2/20 0.43
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CDK7 P50613 2/20 0.43
CCNH P51946 2/20 0.43
CCNA1 P78396 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
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
CCND1 P24385 1/20 0.43
CDK6 Q00534 1/20 0.43

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
SCHEMBL22619105 0.80 SLC40A1 (0.51) SLC40A1MAPTKMT2AALDH1A1HPGD
SCHEMBL7763401 0.77 HPGD (0.68) MAPTMAPK1KMT2AALDH1A1HTT
SCHEMBL13547896 0.76 PLA2G7 (0.52) EGFRTNNI3KCDK2CYP1A2CYP3A4
SCHEMBL7758975 0.76 SLC40A1 (0.47) SLC40A1UQCRBEGFRTNNI3KCDK1
SCHEMBL22928034 0.75 UQCRB (0.45) UQCRBEGFRTNNI3KCDK1CCNB1
SCHEMBL22928036 0.75 UQCRB (0.45) UQCRBEGFRTNNI3KCDK1CCNB1
SCHEMBL22928032 0.74 UQCRB (0.44) UQCRBEGFRTNNI3KCDK1CCNB1
SCHEMBL22928035 0.74 UQCRB (0.44) UQCRBEGFRTNNI3KCDK1CCNB1
SCHEMBL22928148 0.74 BRS3 (0.44) UQCRBEGFRTNNI3KCDK1CCNB1
SCHEMBL678551 0.73 CA1 (0.65) UQCRBCDK1CCNB1CCNA2CDK2

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 SLC40A1 1769/4885UQCRB 2528/4885EGFR 1881/4885

“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.