SCHEMBL8761904

SCHEMBL8761904

COc1ccc(NC(=O)OC(C)(C)C)c(CC(O)C2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 3/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ AAK1 Q2M2I8 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 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
SCHEMBL9099363 0.86 MEN1 (0.43) NPC1RAB9ATAS1R3TAS1R1MEN1
SCHEMBL8762406 0.82 ALDH1A1 (0.41) NPC1RAB9ATAS1R3TAS1R1MEN1
SCHEMBL24254051 0.80 ALDH1A1 (0.46) TAS1R3TAS1R1MEN1KMT2AALDH1A1
SCHEMBL8085605 0.79 ALDH1A1 (0.42) CACNA1BNPC1RAB9ATAS1R3TAS1R1
SCHEMBL4568372 0.75 MEN1 (0.43) CACNA1BNPC1RAB9ATAS1R3TAS1R1
SCHEMBL8502442 0.75 MAPT (0.46) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2156670 0.75 AKR1C3 (0.48) TAS1R3TAS1R1MEN1KMT2AALDH1A1
SCHEMBL2589170 0.74 ALDH1A1 (0.63) NPC1RAB9ATAS1R3TAS1R1MEN1
SCHEMBL8762255 0.74 TAS1R3 (0.44) TAS1R3TAS1R1MEN1KMT2AALDH1A1
SCHEMBL6117253 0.74 MEN1 (0.38) NPC1RAB9AMEN1KMT2AALDH1A1

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 CACNA1B 566/4885NPC1 1234/4885RAB9A 2053/4885

“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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