SCHEMBL17498024

SCHEMBL17498024

C[C@@H]1CCCCCC(=O)N[C@H](c2ccccc2)COC1=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
CTSD P07339 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
SCHEMBL17515347 1.00 KMT2A (0.36) KMT2ACYP3A4CYP2D6SMN1; SMN2CA1
SCHEMBL17497892 0.84 SMN1; SMN2 (0.37) KMT2ACYP3A4CYP2D6SMN1; SMN2DDB1
SCHEMBL17515369 0.81 KDM4E (0.40)
SCHEMBL17497188 0.81 KDM4E (0.40)
SCHEMBL17515374 0.81 L3MBTL1 (0.36) CYP3A4CYP2D6SMN1; SMN2
SCHEMBL17497185 0.81 L3MBTL1 (0.36) CYP3A4CYP2D6SMN1; SMN2
SCHEMBL17497348 0.81 L3MBTL1 (0.36) CYP3A4CYP2D6SMN1; SMN2
SCHEMBL17497183 0.81 L3MBTL1 (0.36) CYP3A4CYP2D6SMN1; SMN2
SCHEMBL17515375 0.81 L3MBTL1 (0.36) CYP3A4CYP2D6SMN1; SMN2
SCHEMBL17515356 0.79 KMT2A (0.43) KMT2ACA1CA2CA4

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-20160046590-A1 SONIC HEDGEHOG MODULATORS MASSACHUSETTS INST TECHNOLOGY (US) 2016-02-18 US disclosed
US-20160046590-A1 SONIC HEDGEHOG MODULATORS MASSACHUSETTS INST TECHNOLOGY (US) 2016-02-18 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-20160046590-A1 SONIC HEDGEHOG MODULATORS SHH, GLI1, SMO KMT2A 1803/4885CYP3A4 4881/4885CYP2D6 4875/4885

“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.