SCHEMBL6540146

SCHEMBL6540146

COc1ccc(Sc2cccc(CCN(Cc3ccccc3)C(=O)O)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.52
LPAR5 Q9H1C0 2/20 0.52
TSHR P16473 2/20 0.47
ALOX5 P09917 3/20 0.46
PTGES O14684 3/20 0.46
PPM1G O15355 1/20 0.46
PTPN1 P18031 1/20 0.46
KDM5A P29375 1/20 0.46
PPM1A P35813 1/20 0.46
PTPN9 P43378 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX12 P18054 1/20 0.45

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
SCHEMBL6552605 0.90 LPAR1 (0.62) LPAR1LPAR5TSHRALOX5TDP1
SCHEMBL6539665 0.90 LPAR1 (0.57) LPAR1LPAR5TSHRALOX5MEN1
SCHEMBL6540657 0.82 OPRK1 (0.52) L3MBTL1HTR2CHTR6
SCHEMBL6540100 0.81 L3MBTL1 (0.59) LPAR1LPAR5MEN1KMT2AL3MBTL1
SCHEMBL6540825 0.80 OPRK1 (0.50) LPAR1LPAR5TDP1NPC1RAB9A
SCHEMBL6541405 0.79 LPAR1 (0.54) LPAR1LPAR5TSHRALOX5TDP1
SCHEMBL6540580 0.78 LPAR1 (0.52) LPAR1LPAR5PTGESMMP2
SCHEMBL6540116 0.78 TAS2R14 (0.52) LPAR1LPAR5TSHRPTGESALDH1A1
SCHEMBL15266418 0.76 LPAR1 (0.57) LPAR1LPAR5TSHRALOX5PTGES
SCHEMBL6540059 0.76 L3MBTL1 (0.49) LPAR1LPAR5TDP1MEN1KMT2A

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 LPAR1 362/4885LPAR5 719/4885TSHR 3667/4885

“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.