SCHEMBL26731609

SCHEMBL26731609

Cc1ccc2c(c1)CCCC2(CO)COC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.42
▸ RAB9A P51151 4/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA5 P30532 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PRKCA P17252 3/20 0.35

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
SCHEMBL21930331 0.87 SIGMAR1 (0.42) SIGMAR1RAB9ACHRNB2CHRNA5CHRNA7
SCHEMBL21929993 0.87 SIGMAR1 (0.42) SIGMAR1RAB9ACHRNB2CHRNA5CHRNA7
SCHEMBL21930080 0.87 SIGMAR1 (0.42) SIGMAR1RAB9ACHRNB2CHRNA5CHRNA7
SCHEMBL26194439 0.85 RAB9A (0.39) SIGMAR1RAB9ANPC1CHRNB2CHRNA5
SCHEMBL26731620 0.81 SIGMAR1 (0.41) SIGMAR1RAB9ANPC1MEN1KMT2A
SCHEMBL24032021 0.79 SIGMAR1 (0.46) SIGMAR1RAB9ANPC1CYP3A4
SCHEMBL17542334 0.76 KDM4C (0.39) SIGMAR1RAB9ANPC1CHRNB2CHRNA5
SCHEMBL22253607 0.74 CHRNB2 (0.34) CHRNB2CHRNA5CHRNA7CHRNA4MEN1
SCHEMBL17926678 0.72 NPC1 (0.46) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL23442101 0.72 KDM1A (0.41) SIGMAR1MEN1KMT2ASMN1; SMN2LMNA

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-20230357275-A1 SPIRO-SULFONAMIDE DERIVATIVES AS INHIBITORS OF MYELOID CELL LEUKEMIA-1 (MCL-1) PROTEIN PRELUDE THERAPEUTICS INCORPORATED 2023-11-09 — — 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-20230357275-A1 SPIRO-SULFONAMIDE DERIVATIVES AS INHIBITORS OF MYELOID CELL LEUKEMIA-1 (MCL-1) PROTEIN MCL1, BCL2A1, BCL2L1 SIGMAR1 2199/4885RAB9A 2917/4885NPC1 1405/4885

“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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