SCHEMBL30607155

SCHEMBL30607155

COC(=O)[C@@H]1C[C@@H](OS(=O)(=O)c2ccc(C)cc2)CN1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.45
▸ MMP2 P08253 5/20 0.40
▸ ANPEP P15144 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CHEK2 O96017 1/20 0.36
▸ ENPP3 O14638 2/20 0.36
▸ ENPP1 P22413 2/20 0.36
▸ ENPP2 Q13822 2/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ CCKBR P32239 1/20 0.36
▸ STAT3 P40763 1/20 0.36

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
SCHEMBL12860070 1.00 CYP2D6 (0.45) CYP2D6MMP2ANPEPKMT2AALDH1A1
SCHEMBL30496307 1.00 CYP2D6 (0.45) CYP2D6MMP2ANPEPKMT2AALDH1A1
SCHEMBL12834785 1.00 CYP2D6 (0.45) CYP2D6MMP2ANPEPKMT2AALDH1A1
SCHEMBL4589956 0.90 CYP2D6 (0.45) CYP2D6MMP2ANPEPKMT2AALDH1A1
SCHEMBL8141788 0.89 CA1 (0.36) CYP2D6CHEK2PIM1
SCHEMBL14817044 0.89 CA1 (0.36) CYP2D6CHEK2PIM1
SCHEMBL19650262 0.89 CA1 (0.36) CYP2D6CHEK2PIM1
Hydrochloric Acid SCHEMBL3370361 0.88 CA1 (0.36) CYP2D6ALDH1A1CHEK2PIM1
SCHEMBL16967400 0.87 CYP2D6 (0.47) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL9439062 0.87 CYP2D6 (0.47) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19

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-20230312473-A1 PROCESS FOR THE PREPARATION OF BIHETEROARYL COMPOUNDS AND CRYSTAL FORMS THEREOF GENENTECH, INC. (US) 2023-10-05 — — 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-20230312473-A1 PROCESS FOR THE PREPARATION OF BIHETEROARYL COMPOUNDS AND CRYSTAL FORMS THEREOF NONO, PNPO, KMO CYP2D6 157/4885MMP2 4081/4885ANPEP 1905/4885

“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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