SCHEMBL20093161

SCHEMBL20093161

CC(O)c1ccc(N)c(S(C)(=O)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
G6PD P11413 1/20 0.36
IDE P14735 1/20 0.36
CDC25B P30305 1/20 0.36
GAA P10253 3/20 0.35
HIF1A Q16665 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
ALOX12 P18054 1/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
ADRB2 P07550 2/20 0.34

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
SCHEMBL5624554 0.86 CA1 (0.42) UGT2B7CDC25BGAAHIF1AALDH1A1
SCHEMBL20092411 0.79 TYK2 (0.36) L3MBTL1G6PDIDECDC25BALDH1A1
SCHEMBL1495554 0.79 CYP3A4 (0.42) UGT2B7L3MBTL1AKR1C3AKR1C2LMNA
SCHEMBL18422677 0.74 ALDH1A1 (0.48) UGT2B7NOS3NOS1GAAHIF1A
SCHEMBL1365450 0.73 ALDH1A1 (0.48) CDC25BGAAHIF1AALDH1A1HTT
SCHEMBL9175606 0.72 L3MBTL1 (0.61) L3MBTL1G6PDIDECDC25BGAA
SCHEMBL10585606 0.71 CTDSP1 (0.41) L3MBTL1CDC25BGAAHIF1AALDH1A1
SCHEMBL30908409 0.71 CYP3A4 (0.50) L3MBTL1G6PDIDECDC25BALDH1A1
SCHEMBL2908276 0.71 G6PD (0.60) L3MBTL1G6PDIDEGAAALDH1A1
SCHEMBL20150187 0.71 CYP3A4 (0.50) L3MBTL1G6PDIDECDC25BALDH1A1

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-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 US disclosed
US-10647713-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-05-12 US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 US disclosed
WO-2018075937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2018-04-26 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 (3 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-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 UGT2B7 3375/4885L3MBTL1 914/4885NOS3 4412/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 UGT2B7 3375/4885L3MBTL1 914/4885NOS3 4412/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 UGT2B7 3375/4885L3MBTL1 914/4885NOS3 4412/4885

“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.