Sugi Predict

Sugi Predict / Compounds / SCHEMBL15020437

SCHEMBL15020437

SCHEMBL15020437

N[C@@H](Cc1ccccc1)C(=O)N1CC(OCc2ccccc2)CO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 5/20 0.46
▸ DPP4 P27487 5/20 0.44
▸ MC4R P32245 1/20 0.43
▸ MC3R P41968 1/20 0.43
▸ MC1R Q01726 1/20 0.43
▸ DPP8 Q6V1X1 4/20 0.42
▸ DPP9 Q86TI2 4/20 0.42
▸ DPP7 Q9UHL4 4/20 0.42
▸ FAP Q12884 3/20 0.42
▸ ALPI P09923 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ XIAP P98170 1/20 0.42
▸ SLC7A5 Q01650 1/20 0.42
▸ TACR1 P25103 1/20 0.41
▸ AGTR2 P50052 2/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ F2 P00734 1/20 0.39

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
SCHEMBL15020483 0.83 KMT2A (0.40) MC4RMC3RMC1RAGTR2CTSL
SCHEMBL16223434 0.79 CTSL (0.36) AGTR2CTSLCTSBCTSK
SCHEMBL15047170 0.77 KLK7 (0.49) CTSLCTSBCTSK
SCHEMBL15044450 0.73 BDKRB2 (0.37) DPP4CTSLCTSBCTSK
SCHEMBL16223642 0.72 CTSL (0.38) AGTR2CTSLCTSBCTSK
SCHEMBL3127940 0.71 DPP4 (0.55) HDAC8DPP4DPP8DPP9DPP7
SCHEMBL14856940 0.70 HDAC8 (0.54) HDAC8DPP4DPP8DPP9DPP7
SCHEMBL14857050 0.69 HDAC8 (0.52) HDAC8DPP4DPP8DPP9DPP7
SCHEMBL13827832 0.69 HDAC8 (0.52) HDAC8DPP4DPP8DPP9DPP7
SCHEMBL14856950 0.69 HDAC8 (0.66) HDAC8DPP4DPP8DPP9DPP7

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2579887-B1 NOVEL AURISTATIN DERIVATIVES AND USE THEREOF SEATTLE GENETICS INC (US) 2014-11-12 — — EP disclosed
EP-2579887-B1 NOVEL AURISTATIN DERIVATIVES AND USE THEREOF SEATTLE GENETICS INC (US) 2014-11-12 — — EP disclosed
US-8722629-B2 Auristatin derivatives and use thereof SEATTLE GENETICS, INC. (US) 2014-05-13 — — US disclosed
US-8722629-B2 Auristatin derivatives and use thereof SEATTLE GENETICS, INC. (US) 2014-05-13 — — US disclosed
US-8722629-B2 Auristatin derivatives and use thereof SEATTLE GENETICS, INC. (US) 2014-05-13 — — US disclosed
US-20130157960-A1 NOVEL AURISTATIN DERIVATIVES AND USE THEREOF SEATTLE GENETICS, INC. (US) 2013-06-20 — — US disclosed
US-20130157960-A1 NOVEL AURISTATIN DERIVATIVES AND USE THEREOF SEATTLE GENETICS, INC. (US) 2013-06-20 — — US disclosed
US-20130157960-A1 NOVEL AURISTATIN DERIVATIVES AND USE THEREOF SEATTLE GENETICS, INC. (US) 2013-06-20 — — US disclosed
WO-2011154359-A1 NOVEL AURISTATIN DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-15 — — 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-20130157960-A1 NOVEL AURISTATIN DERIVATIVES AND USE THEREOF AURKC, AURKA, AURKB HDAC8 1453/4885DPP4 3231/4885MC4R 1930/4885

“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.