SCHEMBL26997980

SCHEMBL26997980

CCOC(=O)C1(C(=O)[C@H](C)OC(=O)[C@H](C)O)CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL16407739 0.81 SMN1; SMN2 (0.36) CYP3A4SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9806689 0.77 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL254353 0.77 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1152835 0.75 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9806691 0.72 SMN1; SMN2 (0.41) CYP2C19SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL670857 0.72 SMN1; SMN2 (0.41) CYP2C19SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2321698 0.72 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL10850510 0.72 SMN1; SMN2 (0.41) CYP2C19SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL713102 0.71 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL11725215 0.71 MEN1 (0.39) SMN1; SMN2ALDH1A1MEN1KMT2A

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-11873307-B2 Manufacture of compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2024-01-16 — — 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 (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-11873307-B2 Manufacture of compounds and compositions for inhibiting the activity of SHP2 PTPN5, PTPN7, PTPN1 CYP2C19 4108/4885CYP3A4 4098/4885SMN1; SMN2 3717/4885

“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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