SCHEMBL8762406

SCHEMBL8762406

COc1ccc(NC(=O)OC(C)(C)C)c(CC(O)C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ ABCB1 P08183 2/20 0.41
▸ NR1I2 O75469 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LPAR1 Q92633 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL9104595 0.87 ALDH1A1 (0.43) ALDH1A1TAS1R3TAS1R1F10MEN1
SCHEMBL24254051 0.85 ALDH1A1 (0.46) ALDH1A1NR1I2TAS1R3TAS1R1F10
SCHEMBL8761904 0.82 CACNA1B (0.42) ALDH1A1TAS1R3TAS1R1MEN1KMT2A
SCHEMBL2156670 0.80 AKR1C3 (0.48) ALDH1A1NR1I2TAS1R3TAS1R1F10
SCHEMBL8502442 0.80 MAPT (0.46) ALDH1A1NR1I2F10MEN1KMT2A
SCHEMBL8762255 0.80 TAS1R3 (0.44) ALDH1A1ABCB1NR1I2TAS1R3TAS1R1
SCHEMBL3225589 0.79 NR1I2 (0.41) ALDH1A1NR1I2TAS1R3TAS1R1F10
SCHEMBL8761832 0.79 TAS1R3 (0.43) ALDH1A1ABCB1NR1I2TAS1R3TAS1R1
SCHEMBL8924801 0.78 MTNR1A (0.43) ALDH1A1NR1I2KDM4EHPGDNPC1
SCHEMBL7962276 0.78 AKR1C3 (0.41) ALDH1A1NR1I2TAS1R3TAS1R1MEN1

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
US-8680120-B2 Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 — — US disclosed
US-8680120-B2 Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 — — US disclosed
EP-2460791-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-06-06 — — EP disclosed
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 — — US disclosed
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 — — US disclosed
WO-2011013624-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF キッセイ薬品工業株式会社 (JP) 2011-02-03 — — 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-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, ARRB1 ALDH1A1 370/4885ABCB1 1669/4885NR1I2 755/4885

“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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