SCHEMBL4568377

SCHEMBL4568377

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ F10 P00742 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ MMP8 P22894 2/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL5241843 0.90 AKR1C3 (0.48) KMT2ANPSR1ALDH1A1F10AKR1C3
SCHEMBL7963161 0.87 KMT2A (0.40) KMT2ANPSR1ALDH1A1F10SMN1; SMN2
SCHEMBL4568019 0.87 MTNR1B (0.40) KMT2ANPSR1ALDH1A1AKR1C3SMN1; SMN2
SCHEMBL4568014 0.86 SMN1; SMN2 (0.41) KMT2ANPSR1ALDH1A1F10SMN1; SMN2
SCHEMBL4568024 0.85 ABCB1 (0.39) KMT2ANPSR1ALDH1A1F10SMN1; SMN2
SCHEMBL14628609 0.83 KMT2A (0.41) KMT2ANPSR1ALDH1A1F10SMN1; SMN2
SCHEMBL17233418 0.83 KMT2A (0.41) KMT2ANPSR1ALDH1A1F10SMN1; SMN2
SCHEMBL4568373 0.83 KMT2A (0.44) KMT2ANPSR1ALDH1A1F10SMN1; SMN2
SCHEMBL4568012 0.82 KMT2A (0.45) KMT2AALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL4568371 0.82 TAS1R3 (0.39) KMT2ANPSR1ALDH1A1F10SMN1; SMN2

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
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 — — EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 — — US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 — — US 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R KMT2A 2056/4885NPSR1 27/4885ALDH1A1 422/4885

“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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