SCHEMBL20523604

SCHEMBL20523604

COc1cc(Br)cc(NS(=O)(=O)C(C)C)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
BRAF P15056 1/20 0.35
EDNRB P24530 2/20 0.34
EDNRA P25101 2/20 0.34
NMT1 P30419 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NR3C1 P04150 1/20 0.34
ACLY P53396 2/20 0.34
BRD4 O60885 1/20 0.33
BRD1 O95696 1/20 0.33
BRPF1 P55201 1/20 0.33
BRPF3 Q9ULD4 1/20 0.33
ERN1 O75460 1/20 0.33
APLNR P35414 1/20 0.33
LPAR1 Q92633 1/20 0.33
GLA P06280 1/20 0.33
HTR6 P50406 1/20 0.32
WDR5 P61964 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL20523546 0.83 NR3C1 (0.41) EDNRBEDNRANMT1SMN1; SMN2NR3C1
SCHEMBL20523423 0.80 ACLY (0.51) MAPTSMN1; SMN2ACLYBRD4BRD1
SCHEMBL20523488 0.77 ACVR1 (0.44) BRAFKMT2A
SCHEMBL20523444 0.77 NOD2 (0.43) MAPTBRAFSMN1; SMN2BRD4GLA
SCHEMBL20523657 0.75 HPGD (0.51) MAPTACLYBRD1BRPF1BRPF3
SCHEMBL18599533 0.75 NR3C1 (0.50) MAPTSMN1; SMN2NR3C1APLNR
SCHEMBL21630367 0.73 CA1 (0.36) MAPTBRAFNMT1
SCHEMBL20523654 0.72 ALDH1A1 (0.60) NR3C1ACLYKDM4EKMT2A
SCHEMBL3117652 0.72 PIK3CG (0.44) KMT2A
SCHEMBL15525407 0.70 NQO2 (0.47) MAPTERN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11135209-B2 Compositions and methods for inhibiting protein kinases UNIVERSITY OF HOUSTON SYSTEM (US) 2021-10-05 US disclosed
EP-3600307-B1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES UNIV HOUSTON SYSTEM (US) 2021-05-05 EP disclosed
EP-3600307-A1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES University of Houston System (US) 2020-02-05 EP disclosed
US-20200030303-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN KINASES UNIVERSITY OF HOUSTON SYSTEM (US) 2020-01-30 US disclosed
WO-2018183633-A1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES UNIVERSITY OF HOUSTON SYSTEM (US) 2018-10-04 WO 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 (2 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-11135209-B2 Compositions and methods for inhibiting protein kinases RIPK2, RIPK1, NOD2 MAPT 3141/4885BRAF 238/4885EDNRB 1715/4885
US-20200030303-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN KINASES RIPK2, RIPK1, NOD2 MAPT 3141/4885BRAF 238/4885EDNRB 1715/4885

“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.