SCHEMBL23219992

SCHEMBL23219992

CCOC(=O)[C@]1(C#N)CC[C@H](S(C)(=O)=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL21607430 1.00 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2RECQLESR1ESR2
SCHEMBL23220056 1.00 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2RECQLESR1ESR2
SCHEMBL21598024 0.83 NPSR1 (0.36)
SCHEMBL23220025 0.83 NPSR1 (0.36)
SCHEMBL102472 0.81 POLB (0.41) ALDH1A1SMN1; SMN2GAAKMT2ATSHR
SCHEMBL21598371 0.78
SCHEMBL3523 0.77 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2GAAKMT2ATSHR
SCHEMBL2879833 0.77 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2GAAKMT2ATSHR
SCHEMBL2505 0.76 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2KMT2ATSHR
SCHEMBL23220067 0.75 ALDH1A1 (0.36) ALDH1A1RECQLHTTL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2021-04-13 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 (1 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-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt RORC, RORB, RORA ALDH1A1 801/4885SMN1; SMN2 4508/4885RECQL 828/4885

“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.