SCHEMBL21989751

SCHEMBL21989751

CC(C)(C)OC(=O)N=S(C)(=O)c1cccc2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 2/20 0.45
EIF4H Q15056 2/20 0.45
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CHRM1 P11229 2/20 0.38
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
CCKBR P32239 1/20 0.37
P2RX7 Q99572 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL20129615 0.81 POLB (0.46) LMNACHRM1RAB9AHTTSMN1; SMN2
SCHEMBL20571672 0.77 TSHR (0.52) PABPC1EIF4HCYP3A4TSHRNFKB1
SCHEMBL20129610 0.73 EPHX2 (0.43) CYP3A4TSHRNFKB1THPOHIF1A
SCHEMBL20141849 0.73 EPHX2 (0.43) CYP3A4TSHRNFKB1THPOHIF1A
SCHEMBL20141065 0.73 EPHX2 (0.43) CYP3A4TSHRNFKB1THPOHIF1A
SCHEMBL29695231 0.73 CHRM1 (0.49) PABPC1EIF4HCYP3A4CHRM1ALDH1A1
SCHEMBL10050955 0.73 PABPC1 (0.58) PABPC1EIF4HCYP3A4TSHRNFKB1
SCHEMBL21360400 0.72 HSD11B1 (0.38) TSHRMEN1KMT2ANPC1RAB9A
SCHEMBL28563591 0.72 NSD2 (0.48) PABPC1EIF4HLMNAMAPTMEN1
SCHEMBL116767 0.71 MEN1 (0.65) PABPC1EIF4HCYP3A4LMNAMAPT

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-11591336-B2 Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors D. E. SHAW RESEARCH, LLC (US) 2023-02-28 US disclosed
US-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS, INC. 2020-06-04 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-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS PTPRJ, PTPN2, PTPN5 PABPC1 1691/4885EIF4H 2514/4885CYP3A4 4413/4885
US-11591336-B2 Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors PTPN5, PTPN2, PTPN1 PABPC1 1484/4885EIF4H 2408/4885CYP3A4 3818/4885

“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.