SCHEMBL24087858

SCHEMBL24087858

C[C@H](NC(=O)CNC(=O)CCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.35
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA4 P22748 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA14 Q9ULX7 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TRPV1 Q8NER1 4/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ PKM P14618 1/20 0.30
▸ EPOR P19235 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
SCHEMBL20402344 0.97 CA12 (0.36) OPRK1CA12CA1CA2CA4
SCHEMBL23961617 0.97 CA12 (0.36) OPRK1CA12CA1CA2CA4
SCHEMBL19026314 0.91 CA12 (0.36) OPRK1CA12CA1CA2CA4
SCHEMBL23071798 0.90 MGLL (0.37) CA12CA1CA2CA4CA9
SCHEMBL18264893 0.87 OPRK1 (0.35) OPRK1CA12CA1CA2CA4
SCHEMBL23961616 0.86 NR3C1 (0.38) OPRK1CA12CA1CA2CA4
SCHEMBL23846023 0.86 NR3C1 (0.38) OPRK1CA12CA1CA2CA4
SCHEMBL24898123 0.86 NR3C1 (0.38) OPRK1CA12CA1CA2CA4
SCHEMBL24788071 0.86 LMNA (0.35) OPRK1CA12CA1CA2CA4
SCHEMBL23961705 0.84 OPRK1 (0.37) OPRK1CA12CA1CA2CA4

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-20210380605-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2021-12-09 — — 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-20210380605-A1 PYRROLOBENZODIAZEPINE CONJUGATES PRLHR, GLRA1, CXCR1 OPRK1 164/4885CA12 1335/4885CA1 456/4885

“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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