Sugi Predict

Sugi Predict / Compounds / SCHEMBL20136292

SCHEMBL20136292

SCHEMBL20136292

CC1(C)OB(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 6/20 0.40
▸ CA2 P00918 6/20 0.40
▸ CA9 Q16790 6/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ VCAM1 P19320 1/20 0.40
▸ THRB P10828 3/20 0.39
▸ LPL P06858 4/20 0.36
▸ LIPG Q9Y5X9 4/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL59736 0.81 ATM (0.49) CA1CA2CA9CA12CA3
SCHEMBL28452550 0.81 CA1 (0.40) CA1CA2CA9CA12CA3
SCHEMBL29398685 0.80 MAPT (0.45) CA1CA2CA9CA12CA3
SCHEMBL3678053 0.80 MAPT (0.45) CA1CA2CA9CA12CA3
SCHEMBL1791979 0.80 LPL (0.46) CA1CA2CA9CA12CA3
SCHEMBL28453522 0.78 TSHR (0.49) CA1CA2CA9CA12CA3
SCHEMBL1065935 0.78 TDP1 (0.49) CA1CA2CA9CA12CA3
SCHEMBL1284877 0.78 GPR35 (0.51) CA1CA2CA9CA12CA3
SCHEMBL28452806 0.78 LPL (0.39) CA1CA2CA9CA12CA3
SCHEMBL2489484 0.78 ALDH1A1 (0.56) CA1CA2CA9CA12CA3

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-11396508-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2022-07-26 — — US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 CA1 4879/4885CA2 4600/4885CA9 4680/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CA1 4879/4885CA2 4600/4885CA9 4680/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CA1 4879/4885CA2 4600/4885CA9 4680/4885
US-11396508-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CA1 4879/4885CA2 4600/4885CA9 4680/4885

“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.