SCHEMBL580335

SCHEMBL580335

COc1ccc(C(C)(C)C)cc1[C@@H](CCOS(=O)(=O)c1ccc(C)cc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.37
NR1I2 O75469 9/20 0.36
CTSA P10619 1/20 0.35
HSD11B1 P28845 1/20 0.35
HSD17B3 P37058 1/20 0.35
SMN1; SMN2 Q16637 1/20 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
SCHEMBL579971 1.00 CYP24A1 (0.39) CYP24A1ALDH1A1LMNAGAAHTT
SCHEMBL4001032 0.89 ALDH1A1 (0.41) CYP24A1ALDH1A1LMNAGAAHTT
SCHEMBL580458 0.84 CHRM2 (0.40) CYP24A1ALDH1A1LMNAGAAHTT
SCHEMBL580013 0.84 CHRM2 (0.40) CYP24A1ALDH1A1LMNAGAAHTT
SCHEMBL580390 0.84 CHRM2 (0.40) CYP24A1ALDH1A1LMNAGAAHTT
SCHEMBL5197990 0.81 CNR2 (0.41) CYP24A1ALDH1A1LMNAGAAHTT
SCHEMBL5197573 0.81 CNR2 (0.41) CYP24A1ALDH1A1LMNAGAAHTT
SCHEMBL580334 0.80 CYP24A1 (0.49) CYP24A1ALDH1A1LMNAGAAHTT
SCHEMBL4655851 0.78 LMNA (0.44) CYP24A1ALDH1A1LMNAGAAHTT
SCHEMBL4881596 0.77 MAPT (0.42) ALDH1A1LMNAGAAMAPTMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633695-B1 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA INC (US) 2012-02-15 EP disclosed
EP-1633695-A4 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA INC (US) 2007-12-12 EP disclosed
US-7141696-B2 Smooth muscle spasmolytic agents BRIDGE PHARMA, INC. (US) 2006-11-28 US disclosed
EP-1633695-A2 SMOOTH MUSCLE SPASMOLYTIC AGENTS Bridge Pharma, Inc. (US) 2006-03-15 EP disclosed
WO-2004105692-A2 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA, INC. (US) 2004-12-09 WO disclosed
US-20040248987-A1 Smooth muscle spasmolytic agents BRIDGE PHARMA, INC. 2004-12-09 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-20040248987-A1 Smooth muscle spasmolytic agents MYLK, TNNC1, MYLK2 CYP24A1 2421/4885ALDH1A1 230/4885LMNA 406/4885

“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.