SCHEMBL21891959

SCHEMBL21891959

CSCCC(NC(=O)Oc1ccccc1)C(=O)OC(C)NC(=O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
BCL2 P10415 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KLK7 P49862 1/20 0.42
BID P55957 1/20 0.42
MCL1 Q07820 1/20 0.42
BCL2L2 Q92843 1/20 0.42
BCL2L10 Q9HD36 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
ANPEP P15144 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL23130263 0.90 POLB (0.58) POLBKLK7KMT2A
SCHEMBL21891811 0.86 POLB (0.49) POLBBCL2CYP1A2CYP3A4CYP2C19
SCHEMBL21891748 0.86 CYP1A2 (0.46) POLBBCL2CYP1A2CYP3A4CYP2C19
SCHEMBL21891858 0.85 PPID (0.52) POLBBCL2CYP1A2CYP3A4CYP2C19
SCHEMBL5259541 0.84 NPSR1 (0.53) GAA
SCHEMBL1839387 0.84 NPSR1 (0.53) GAA
SCHEMBL21891749 0.84 CYP1A2 (0.43) POLBCYP1A2CYP3A4CYP2C19GAA
SCHEMBL27830439 0.82 BCL2 (0.57) POLBBCL2CYP3A4CYP2C19BID
SCHEMBL21891885 0.82 SIRT1 (0.52) SIRT1
SCHEMBL21891762 0.81 POLB (0.45) POLBBCL2CYP1A2CYP3A4CYP2C19

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-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 US disclosed
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-04-16 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-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 POLB 376/4885BCL2 2467/4885CYP1A2 184/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 POLB 376/4885BCL2 2467/4885CYP1A2 184/4885

“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.