SCHEMBL21571673

SCHEMBL21571673

C=CS(=O)(=O)N1CCN(c2cccc(Br)c2NC(=O)c2coc(N)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PIM1 P11309 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PAICS P22234 1/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL21571669 0.82 SMYD3 (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20352014 0.81 PAICS (0.39) PAICSHDAC3HDAC2SMYD3
SCHEMBL21571651 0.80 PAICS (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20352101 0.76 PAICS (0.49) PAICS
SCHEMBL21571662 0.72 PAICS (0.39) PAICS
SCHEMBL21571674 0.71 PAICS (0.35) PAICSSMYD3
SCHEMBL21571672 0.70 PAICS (0.52) PAICSSMYD3
SCHEMBL21571650 0.70 PAICS (0.45) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL24220495 0.64 PAICS (0.39) POLBPAICS
SCHEMBL20339064 0.64 PAICS (0.39) PAICSHDAC3HDAC2

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-10961233-B2 Oxazole derivatives for use in the treatment of cancer LIFEARC (GB) 2021-03-30 — — US disclosed
US-20190352295-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2019-11-21 — — 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-20190352295-A1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER PAICS, CDK12, CDK13 ALDH1A1 1713/4885CYP1A2 547/4885CYP3A4 803/4885
US-10961233-B2 Oxazole derivatives for use in the treatment of cancer PAICS, CDK13, CDK12 ALDH1A1 1593/4885CYP1A2 579/4885CYP3A4 795/4885

“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.

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