SCHEMBL13827832

SCHEMBL13827832

N[C@@H](Cc1ccccc1)C(=O)N1CCCCO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.52
DPP4 P27487 5/20 0.50
DPP7 Q9UHL4 4/20 0.50
DPP8 Q6V1X1 3/20 0.50
DPP9 Q86TI2 3/20 0.50
FAP Q12884 2/20 0.50
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
SLC7A5 Q01650 1/20 0.49
TACR1 P25103 1/20 0.45
SLC15A1 P46059 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
GAA P10253 1/20 0.43
PLAU P00749 1/20 0.42
PLAUR Q03405 1/20 0.42

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
SCHEMBL14857050 1.00 HDAC8 (0.52) HDAC8DPP4DPP7DPP8DPP9
SCHEMBL14856940 0.96 HDAC8 (0.54) HDAC8DPP4DPP7DPP8DPP9
Trifluoroacetic Acid SCHEMBL21065974 0.94 HDAC8 (0.47) HDAC8DPP4DPP7DPP8DPP9
Trifluoroacetic Acid SCHEMBL13732949 0.94 HDAC8 (0.47) HDAC8DPP4DPP7DPP8DPP9
SCHEMBL21066047 0.88 HDAC8 (0.51) HDAC8DPP4DPP7DPP8DPP9
SCHEMBL21066046 0.88 HDAC8 (0.51) HDAC8DPP4DPP7DPP8DPP9
Trifluoroacetic Acid SCHEMBL16394303 0.84 DPP7 (0.49) DPP4DPP7DPP8DPP9FAP
Trifluoroacetic Acid SCHEMBL14762499 0.84 SLC7A5 (0.46) HDAC8DPP4DPP7DPP8DPP9
SCHEMBL14866737 0.83 HSD17B10 (0.55) NPC1RAB9AHPGDTSHRGAA
SCHEMBL14867051 0.83 HSD17B10 (0.55) NPC1RAB9AHPGDTSHRGAA

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160193359-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF SEATTLE GENETICS, INC. (US) 2016-07-07 US disclosed
US-20160193359-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF SEATTLE GENETICS, INC. (US) 2016-07-07 US disclosed
US-20150246136-A1 NOVEL BINDER-DRUG CONJUGATES (ADCs) AND USE OF SAME SEATTLE GENETICS, INC. (US) 2015-09-03 US disclosed
US-20150246136-A1 NOVEL BINDER-DRUG CONJUGATES (ADCs) AND USE OF SAME SEATTLE GENETICS, INC. (US) 2015-09-03 US disclosed
US-8992932-B2 Binder-drug conjugates (ADCs) and use thereof SEATTLE GENETICS, INC. (US) 2015-03-31 US disclosed
US-8992932-B2 Binder-drug conjugates (ADCs) and use thereof SEATTLE GENETICS, INC. (US) 2015-03-31 US disclosed
US-20150030618-A1 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF SEATTLE GENETICS, INC. (US) 2015-01-29 US disclosed
US-20150030618-A1 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF SEATTLE GENETICS, INC. (US) 2015-01-29 US disclosed
US-20150023989-A1 NEW ANTIBODY DRUG CONJUGATES (ADCS) AND THE USE THEREOF SEATTLE GENETICS, INC. 2015-01-22 US disclosed
US-20150023989-A1 NEW ANTIBODY DRUG CONJUGATES (ADCS) AND THE USE THEREOF SEATTLE GENETICS, INC. 2015-01-22 US disclosed
US-20130122024-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 US disclosed
US-20130095123-A1 New binder-drug conjugates (ADCs) and use thereof Bayer Pharma AG (DE) 2013-04-18 US disclosed
US-20130095123-A1 New binder-drug conjugates (ADCs) and use thereof Bayer Pharma AG (DE) 2013-04-18 US disclosed
EP-2579887-A1 NOVEL AURISTATIN DERIVATIVES AND USE THEREOF Seattle Genetics, Inc. (US) 2013-04-17 EP disclosed
US-20130066055-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-14 US disclosed
US-20130066055-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-14 US disclosed
WO-2012143496-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
WO-2012143495-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
WO-2011154359-A1 NOVEL AURISTATIN DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-15 WO 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 (7 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-20130122024-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF MDN1, EPCAM, VCAM1 HDAC8 2203/4885DPP4 851/4885DPP7 447/4885
US-20130066055-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 HDAC8 2073/4885DPP4 76/4885DPP7 592/4885
US-20160193359-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 HDAC8 2073/4885DPP4 76/4885DPP7 592/4885
US-20150023989-A1 NEW ANTIBODY DRUG CONJUGATES (ADCS) AND THE USE THEREOF FGFR2, FGFR1, FGFR3 HDAC8 2294/4885DPP4 1831/4885DPP7 1398/4885
US-20150246136-A1 NOVEL BINDER-DRUG CONJUGATES (ADCs) AND USE OF SAME DDR1, IGFBP6, KDR HDAC8 1789/4885DPP4 3207/4885DPP7 2372/4885
US-20130095123-A1 New binder-drug conjugates (ADCs) and use thereof CDK4, CDKL4, FLT4 HDAC8 2073/4885DPP4 76/4885DPP7 592/4885
US-20150030618-A1 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 HDAC8 2050/4885DPP4 79/4885DPP7 577/4885

“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.