SCHEMBL4124330

SCHEMBL4124330

COc1c(F)cccc1C(O)c1cc(Cl)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
ALDH1A1 P00352 1/20 0.36
MAPK14 Q16539 1/20 0.36
CYP17A1 P05093 1/20 0.36
S1PR3 Q99500 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
FDFT1 P37268 2/20 0.35
P2RX3 P56373 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL4116446 0.90 HSP90AA1 (0.42) LPAR1HSP90AA1HSP90AB1S1PR3FDFT1
SCHEMBL13776019 0.89 LPAR1 (0.45) LPAR1HSP90AA1HSP90AB1ALDH1A1FDFT1
SCHEMBL13776193 0.89 HSP90AA1 (0.41) LPAR1HSP90AA1HSP90AB1CYP17A1S1PR3
SCHEMBL13775974 0.88 HSP90AA1 (0.40) LPAR1HSP90AA1HSP90AB1ALDH1A1CYP17A1
SCHEMBL4124228 0.86 LPAR1 (0.43) LPAR1ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL4113235 0.86 LPAR1 (0.44) LPAR1HSP90AA1HSP90AB1ALDH1A1KCNQ4
SCHEMBL13775845 0.84 LPAR1 (0.41) LPAR1HSP90AA1HSP90AB1ALDH1A1FDFT1
SCHEMBL4119464 0.84 LPAR1 (0.51) LPAR1HSP90AA1HSP90AB1ALDH1A1FDFT1
SCHEMBL13776413 0.83 LPAR1 (0.46) LPAR1HSP90AA1HSP90AB1ALDH1A1
SCHEMBL4119701 0.82 LPAR1 (0.45) LPAR1HSP90AA1HSP90AB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR LPAR1 345/4885HSP90AA1 4018/4885HSP90AB1 3883/4885

“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.