SCHEMBL21998432

SCHEMBL21998432

CCCCC(C)(C)c1cccc(S(=O)(=O)NCC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
CYP2C19 P33261 1/20 0.40
BRD4 O60885 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
TSHR P16473 2/20 0.39

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
SCHEMBL21994164 0.92 KMT2A (0.43) TRPV1ALDH1A1KMT2AMEN1LMNA
SCHEMBL10176295 0.82 KMT2A (0.47) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL13753685 0.78 CA1 (0.64) TRPV1ALDH1A1KMT2AMEN1LMNA
SCHEMBL15199080 0.77 ALDH1A1 (0.56) TRPV1ALDH1A1KMT2AMEN1LMNA
SCHEMBL8955019 0.76 CNR2 (0.50) CNR1CNR2
SCHEMBL23731657 0.74 SMN1; SMN2 (0.45) TRPV1ALDH1A1KMT2AMEN1LMNA
SCHEMBL21726734 0.74 KMT2A (0.53) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL13865093 0.74 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL3277623 0.73 TRPV1 (0.58) TRPV1ALDH1A1KMT2AMEN1LMNA
SCHEMBL25005768 0.73 KIF11 (0.47) ALDH1A1LMNAMAPK1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941160-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2021-03-09 US disclosed
US-20200148703-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-05-14 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 (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-10941160-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 TRPV1 4620/4885ALDH1A1 3316/4885KMT2A 77/4885
US-20200148703-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 TRPV1 4620/4885ALDH1A1 3316/4885KMT2A 77/4885

“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.