SCHEMBL5657713

SCHEMBL5657713

CCCOc1ccccc1CCOS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ATM Q13315 2/20 0.42
PPARD Q03181 1/20 0.42
HPGD P15428 2/20 0.41
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
PRKCD Q05655 1/20 0.38
PAK1 Q13153 1/20 0.38
CAMK2B Q13554 1/20 0.38
CAMK2G Q13555 1/20 0.38
CAMK2D Q13557 1/20 0.38
TAOK1 Q7L7X3 1/20 0.38

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
SCHEMBL7215472 0.91 MAPT (0.44) L3MBTL1MAPTNPSR1ATMPPARD
SCHEMBL4860922 0.89 L3MBTL1 (0.56) L3MBTL1MAPTNPSR1ATMHPGD
SCHEMBL5658385 0.85 CA1 (0.49)
SCHEMBL24041895 0.84 HTR1A (0.46)
SCHEMBL9685579 0.82 L3MBTL1 (0.64) L3MBTL1MAPTNPSR1ATMHPGD
SCHEMBL3593144 0.82 CA12 (0.54) KDM4EKCNH2
SCHEMBL3171854 0.82 TAAR1 (0.41) L3MBTL1MAPTNPSR1KDM4EALDH1A1
SCHEMBL5660413 0.82 HTR1A (0.59) L3MBTL1MAPTMAPK1
Alcohol SCHEMBL11040577 0.81 CA12 (0.50) KDM4E
SCHEMBL1960375 0.81 KDM4E (0.46) L3MBTL1MAPTNPSR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166617-B2 Cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-01-23 US disclosed
US-20030212094-A1 Novel cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2003-11-13 US disclosed
EP-1260512-A1 NOVEL CYCLIC AMIDE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2002-11-27 EP 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-20030212094-A1 Novel cyclic amide derivatives SIGMAR1, OPRM1, OPRD1 L3MBTL1 3329/4885MAPT 4572/4885NPSR1 42/4885

“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.