SCHEMBL6117367

SCHEMBL6117367

COC(=O)c1cccc(CNc2ccc(OC)cc2CC(O)C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPM1D O15297 2/20 0.48
▸ HIF1A Q16665 1/20 0.44
▸ SLC7A5 Q01650 1/20 0.43
▸ MRGPRX4 Q96LA9 2/20 0.43
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ ABCB1 P08183 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ CYP4F2 P78329 2/20 0.42
▸ CYP4A11 Q02928 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MMP13 P45452 1/20 0.41
▸ FOLH1 Q04609 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ SENP1 Q9P0U3 1/20 0.40

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
SCHEMBL6117765 0.83 PPM1D (0.57) PPM1DHIF1ASLC7A5LOXL2ABCB1
SCHEMBL1180032 0.78 LOXL2 (0.53) PPM1DHIF1ASLC7A5MRGPRX4LOXL2
SCHEMBL1180504 0.74 MAPT (0.57) NPC1POLBRAB9ASMN1; SMN2
SCHEMBL9104595 0.74 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2
SCHEMBL15761718 0.74 HIF1A (0.70) HIF1ALOXL2HDAC8CYP4F2CYP4A11
SCHEMBL15761745 0.73 HIF1A (0.65) HIF1ALOXL2CYP4F2CYP4A11NPC1
SCHEMBL8762406 0.72 ALDH1A1 (0.41) ABCB1NPC1RAB9A
SCHEMBL31072837 0.71 HDAC8 (0.57) HIF1AABCB1ABCG2HDAC8NPC1
SCHEMBL15761754 0.70 HIF1A (0.58) PPM1DHIF1ASLC7A5MRGPRX4LOXL2
SCHEMBL4767651 0.70 HDAC1 (0.60) MRGPRX4LOXL2HDAC8CYP4F2CYP4A11

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 8 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
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
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 PPM1D 2897/4885HIF1A 3324/4885SLC7A5 525/4885

“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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