SCHEMBL7239435

SCHEMBL7239435

COC(=O)C1CCCC1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.61
▸ NPC1 O15118 3/20 0.61
▸ GSTO1 P78417 1/20 0.55
▸ LMNA P02545 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ MCOLN3 Q8TDD5 1/20 0.54
▸ AR P10275 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MAOA P21397 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ MAOB P27338 4/20 0.49
▸ CSNK2A1 P68400 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49

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
SCHEMBL5577096 0.88 RAB9A (0.62) RAB9ANPC1GSTO1LMNASMN1; SMN2
SCHEMBL5577099 0.83 RAB9A (0.55) RAB9ANPC1GSTO1LMNASMN1; SMN2
SCHEMBL7258047 0.81 RAB9A (0.70) RAB9ANPC1GSTO1LMNASMN1; SMN2
SCHEMBL3144530 0.80 LMNA (0.50) RAB9ANPC1LMNASMN1; SMN2KDM4E
SCHEMBL3144521 0.80 LMNA (0.50) RAB9ANPC1LMNASMN1; SMN2KDM4E
SCHEMBL3139858 0.80 LMNA (0.50) RAB9ANPC1LMNASMN1; SMN2KDM4E
SCHEMBL3139877 0.80 LMNA (0.50) RAB9ANPC1LMNASMN1; SMN2KDM4E
SCHEMBL3139846 0.80 LMNA (0.50) RAB9ANPC1LMNASMN1; SMN2KDM4E
SCHEMBL7241453 0.79 RAB9A (0.65) RAB9ANPC1GSTO1LMNASMN1; SMN2
SCHEMBL2559540 0.77 RAB9A (0.65) RAB9ANPC1GSTO1LMNASMN1; SMN2

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-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-20 — — 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-20030055263-A1 Carboxylic acid derivatives, medicaments comprising these compounds, their use and processes for their production TERT, POT1, REV1 RAB9A 3964/4885NPC1 2716/4885GSTO1 1600/4885

“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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