SCHEMBL20155929

SCHEMBL20155929

CCc1cccc(C#N)c1N(C)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
PTK2 Q05397 6/20 0.37
NR3C1 P04150 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM2B Q8NHM5 1/20 0.33
NR1H3 Q13133 1/20 0.33
GABRA1 P14867 3/20 0.32
GABRB2 P47870 3/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
TSHR P16473 1/20 0.32
ESR1 P03372 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL20091719 0.77 ALDH1A1 (0.41) ALDH1A1HTTNR1H3GABRA1GABRB2
SCHEMBL20073204 0.77 ALDH1A1 (0.41) ALDH1A1HTTPTK2NR3C1KMT2A
SCHEMBL20155932 0.76 RECQL (0.41) ALDH1A1HTTMEN1KMT2AGABRA1
SCHEMBL20091720 0.76 HPGD (0.38) MEN1KMT2AGABRA1GABRB2ESR1
SCHEMBL20091680 0.75 ALDH1A1 (0.39) ALDH1A1HTTNR1H3
SCHEMBL20230848 0.73 ALDH1A1 (0.39) ALDH1A1HTTNR3C1GABRA1GABRB2
SCHEMBL1291364 0.71 ALDH1A1 (0.51) ALDH1A1HTTNR3C1MEN1KMT2A
SCHEMBL30468495 0.71 ALDH1A1 (0.51) ALDH1A1HTTNR3C1MEN1KMT2A
SCHEMBL2634673 0.71 ALDH1A1 (0.47) ALDH1A1HTTNR3C1TAS2R14TSHR
SCHEMBL106062 0.69 TSHR (0.50) ALDH1A1HTTGABRA1GABRB2TSHR

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 3 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

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 ALDH1A1 4827/4885HTT 1087/4885PTK2 121/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885HTT 1087/4885PTK2 121/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 ALDH1A1 4827/4885HTT 1087/4885PTK2 121/4885

“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.