SCHEMBL20230848

SCHEMBL20230848

CCc1cccc(C#N)c1S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
GABRA1 P14867 4/20 0.36
GABRB2 P47870 4/20 0.36
NR3C1 P04150 1/20 0.36
TSHR P16473 2/20 0.35
HSD11B1 P28845 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
APLNR P35414 1/20 0.34
CYP2A6 P11509 1/20 0.34
AR P10275 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NR1H2 P55055 1/20 0.33
EGLN2 Q96KS0 1/20 0.33

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
SCHEMBL15389662 0.85 ALDH1A1 (0.46) ALDH1A1HTTTSHRCA1CA2
SCHEMBL15461578 0.78 TSHR (0.52) ALDH1A1HTTTSHRCA1CA2
SCHEMBL30950539 0.76 ALDH1A1 (0.40) ALDH1A1HTTTSHRCA1CA2
SCHEMBL18512516 0.76 ALDH1A1 (0.40) ALDH1A1HTTTSHRCA1CA2
SCHEMBL106062 0.74 TSHR (0.50) ALDH1A1HTTGABRA1GABRB2TSHR
SCHEMBL20091677 0.74 L3MBTL1 (0.39) ALDH1A1HTTGABRA1GABRB2TSHR
SCHEMBL20073215 0.74 ALDH1A1 (0.38) ALDH1A1HTTNR3C1TSHRCA1
SCHEMBL20155929 0.73 ALDH1A1 (0.41) ALDH1A1HTTGABRA1GABRB2NR3C1
SCHEMBL7790350 0.73 GABRA1 (0.41) ALDH1A1HTTGABRA1GABRB2TSHR
SCHEMBL11524213 0.73 GABRA1 (0.41) GABRA1GABRB2TSHRHSD11B1AR

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-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

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-10323036-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 ALDH1A1 4827/4885HTT 1087/4885GABRA1 2223/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885HTT 1087/4885GABRA1 2223/4885

“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.