SCHEMBL20091677

SCHEMBL20091677

CC(C)c1cccc(C#N)c1S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
FAAH O00519 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GABRA1 P14867 1/20 0.35
HPGD P15428 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 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
SCHEMBL23638029 0.87 CYP1A2 (0.36) L3MBTL1ALDH1A1HTTLMNATSHR
SCHEMBL15389662 0.83 ALDH1A1 (0.46) ALDH1A1HTTPOLBTSHRCA1
SCHEMBL20091719 0.78 ALDH1A1 (0.41) L3MBTL1ALDH1A1HTTPOLBLMNA
SCHEMBL15461578 0.77 TSHR (0.52) ALDH1A1HTTTSHRCA1CA2
SCHEMBL18512516 0.75 ALDH1A1 (0.40) ALDH1A1HTTTSHRCA1CA2
SCHEMBL30950539 0.75 ALDH1A1 (0.40) ALDH1A1HTTPOLBLMNATSHR
SCHEMBL20230848 0.74 ALDH1A1 (0.39) ALDH1A1HTTTSHRCA1CA2
SCHEMBL254017 0.73 TSHR (0.50) L3MBTL1ALDH1A1HTTPOLBLMNA
SCHEMBL29835035 0.73 TSHR (0.50) L3MBTL1ALDH1A1HTTPOLBLMNA
SCHEMBL20073207 0.73 L3MBTL1 (0.42) L3MBTL1POLBLMNATSHRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-10 US disclosed
US-20210230163-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-07-29 US disclosed
EP-3848370-A2 TYK2 INHIBITORS AND USES THEREOF Nimbus Lakshmi, Inc. (US) 2021-07-14 EP disclosed
US-10793574-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-10-06 US disclosed
US-20190284194-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-19 US disclosed
US-10323036-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2019-06-18 US disclosed
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 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 (7 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-10793574-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 L3MBTL1 914/4885ALDH1A1 4827/4885HTT 1087/4885
US-10323036-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 L3MBTL1 914/4885ALDH1A1 4827/4885HTT 1087/4885
US-20210230163-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 L3MBTL1 914/4885ALDH1A1 4827/4885HTT 1087/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 L3MBTL1 914/4885ALDH1A1 4827/4885HTT 1087/4885
US-20190284194-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 L3MBTL1 914/4885ALDH1A1 4827/4885HTT 1087/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 L3MBTL1 914/4885ALDH1A1 4827/4885HTT 1087/4885
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 L3MBTL1 914/4885ALDH1A1 4827/4885HTT 1087/4885

“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.