SCHEMBL1315750

SCHEMBL1315750

COC(=O)c1sc(NC(=O)OC(C)(C)C)c(C#N)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.55
▸ MEN1 O00255 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ RXFP1 Q9HBX9 2/20 0.55
▸ MAPK1 P28482 1/20 0.54
▸ APOBEC3G Q9HC16 2/20 0.52
▸ BRAF P15056 3/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ HPGD P15428 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ HTT P42858 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 3/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ DUSP3 P51452 1/20 0.45
▸ RAB9A P51151 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43

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
SCHEMBL1317197 0.89 RXFP1 (0.48) ALDH1A1MEN1KMT2ARXFP1MAPK1
SCHEMBL2645060 0.83 RXFP1 (0.53) ALDH1A1MEN1KMT2ARXFP1MAPK1
SCHEMBL2644226 0.81 APOBEC3G (0.72) ALDH1A1MEN1KMT2ARXFP1MAPK1
SCHEMBL2644079 0.78 APOBEC3G (0.61) ALDH1A1MEN1KMT2ARXFP1MAPK1
SCHEMBL2644704 0.77 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ARXFP1MAPK1
SCHEMBL2644158 0.77 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ARXFP1MAPK1
SCHEMBL2644495 0.76 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ARXFP1MAPK1
SCHEMBL9291582 0.75 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPK1KDM4E
SCHEMBL2644096 0.75 APOBEC3G (0.67) ALDH1A1MEN1KMT2ARXFP1MAPK1
SCHEMBL8694817 0.74 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ARXFP1MAPK1

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-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 — — US disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 — — US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 — — US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 — — US disclosed
EP-2375899-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF Array Biopharma, Inc. (US) 2011-10-19 — — EP disclosed
WO-2010080864-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-07-15 — — 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-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF NOS1, NOS2, ASS1 ALDH1A1 28/4885MEN1 1078/4885KMT2A 2715/4885

“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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