SCHEMBL26731620

SCHEMBL26731620

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.41
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ 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 4/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PLA2G1B P04054 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
SCHEMBL21930565 0.88 SIGMAR1 (0.42) SIGMAR1RAB9AMEN1KMT2AMAPT
SCHEMBL21930213 0.88 SIGMAR1 (0.42) SIGMAR1RAB9AMEN1KMT2AMAPT
SCHEMBL26194440 0.86 SMN1; SMN2 (0.39) SIGMAR1NPC1RAB9AMEN1KMT2A
SCHEMBL26731609 0.81 SIGMAR1 (0.42) SIGMAR1NPC1RAB9AMEN1KMT2A
SCHEMBL17542332 0.77 KDM1A (0.37) SIGMAR1NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL17542330 0.77 KDM1A (0.37) SIGMAR1NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL22253695 0.74 TDP1 (0.32) MEN1KMT2ALMNAL3MBTL1TDP1
SCHEMBL23442097 0.74 KDM1A (0.41) SIGMAR1SMN1; SMN2
SCHEMBL17926678 0.72 NPC1 (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL21929993 0.70 SIGMAR1 (0.42) SIGMAR1RAB9AMEN1KMT2ALMNA

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 2199/4885NPC1 1405/4885RAB9A 2917/4885

“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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