SCHEMBL31069766

SCHEMBL31069766

CS(=O)(=O)COc1ccccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 7/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
GAA P10253 2/20 0.47
TP53 P04637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.44
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
MAOA P21397 1/20 0.43
HTR2B P41595 1/20 0.43
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL6278755 0.79 ALDH1A1 (0.50) SMN1; SMN2MAPK1ALDH1A1HPGDTSHR
SCHEMBL8414710 0.77 GAA (0.47) SMN1; SMN2MAPK1ALDH1A1HPGDTSHR
SCHEMBL5451 0.76 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1ALDH1A1HPGDTSHR
SCHEMBL30283197 0.76 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1ALDH1A1HPGDTSHR
Hydrochloric Acid SCHEMBL27764098 0.74 NPC1 (0.50) SMN1; SMN2MAPK1ALDH1A1HPGDTSHR
SCHEMBL29530857 0.73 GAA (0.51) SMN1; SMN2MAPK1ALDH1A1HPGDTSHR
SCHEMBL18587828 0.73 GAA (0.51) SMN1; SMN2MAPK1ALDH1A1HPGDTSHR
SCHEMBL973234 0.73 ALDH1A1 (0.54) SMN1; SMN2MAPK1ALDH1A1HPGDTSHR
SCHEMBL13664958 0.72 SMN1; SMN2 (0.64) SMN1; SMN2MAPK1ALDH1A1HPGDTSHR
SCHEMBL23835516 0.72 EPAS1 (0.36) ALDH1A1KDM4E

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-20240382457-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS NOVARTIS PHARMA AG (CH) 2024-11-21 US disclosed
US-12083101-B2 Biaryl derivatives as YAP/TAZ-TEAD protein-protein interaction inhibitors NOVARTIS AG (CH) 2024-09-10 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-12083101-B2 Biaryl derivatives as YAP/TAZ-TEAD protein-protein interaction inhibitors YAP1, TEAD3, TEAD2 SMN1; SMN2 3393/4885MAPK1 1325/4885ALDH1A1 3440/4885
US-20240382457-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS YAP1, TEAD3, TEAD2 SMN1; SMN2 3393/4885MAPK1 1325/4885ALDH1A1 3440/4885

“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.