SCHEMBL563333

SCHEMBL563333

O=CCCN(Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.44
MGLL Q99685 1/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 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
SCHEMBL27713597 0.88 HDAC1 (0.53) RENMEN1KMT2ATDP1TSHR
SCHEMBL13723052 0.86 REN (0.50) RENMEN1KMT2ALMNATDP1
SCHEMBL23120893 0.86 MEN1 (0.53) MEN1KMT2ALMNATDP1MAPT
SCHEMBL23120176 0.85 ALOX5 (0.56)
SCHEMBL23120140 0.85 MC4R (0.50)
SCHEMBL23121020 0.84 ALOX5 (0.49) RENMEN1KMT2ATDP1MAPT
SCHEMBL23120179 0.84 PTGES (0.58) TSHR
SCHEMBL7172779 0.84 TDP1 (0.45) RENMEN1KMT2ALMNATDP1
SCHEMBL27713598 0.82 CCR6 (0.52) RENMEN1KMT2ALMNATDP1
SCHEMBL23120348 0.82 PTGES (0.59) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024109929-A1 IONIZABLE LIPID AND USE THEREOF 艾斯拓康医药科技(北京)有限公司 2024-05-30 WO disclosed
EP-3501546-A2 CYSTEINE DRUG CONJUGATES AND USE OF SAME Seattle Genetics, Inc. (US) 2019-06-26 EP disclosed
US-20150246136-A1 NOVEL BINDER-DRUG CONJUGATES (ADCs) AND USE OF SAME SEATTLE GENETICS, INC. (US) 2015-09-03 US disclosed
EP-2579887-B1 NOVEL AURISTATIN DERIVATIVES AND USE THEREOF SEATTLE GENETICS INC (US) 2014-11-12 EP disclosed
EP-2790731-A2 FGFR-BINDER-ACTIVE AGENT CONJUGATES Seattle Genetics, Inc. (US) 2014-10-22 EP disclosed
US-20140127240-A1 Novel Binder-Drug Conjugates (ADCs) and Use of Same BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-05-08 US disclosed
EP-2699268-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE Seattle Genetics, Inc. (US) 2014-02-26 EP disclosed
WO-2013087716-A2 NEW ANTIBODY DRUG CONJUGATES (ADCS) AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-06-20 WO disclosed
EP-2579887-A1 NOVEL AURISTATIN DERIVATIVES AND USE THEREOF Seattle Genetics, Inc. (US) 2013-04-17 EP disclosed
WO-2012143499-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
WO-2012143497-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-2012143496-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
US-20120035172-A1 Purinone Derivatives as HM74A Agonists INCYTE CORPORATION (US) 2012-02-09 US disclosed
WO-2011154359-A1 NOVEL AURISTATIN DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-15 WO disclosed
US-8039478-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-10-18 US disclosed
WO-2005118613-A2 ANTIBACTERIAL AMIDE MACROCYCLES AICURIS GMBH & CO.KG (DE) 2005-12-15 WO disclosed
WO-2005033129-A1 ANTIBACTERIAL AMIDE MACROCYCLES BAYER HEALTHCARE AG (DE) 2005-04-14 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 (3 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-20120035172-A1 Purinone Derivatives as HM74A Agonists GPR84, P2RY1, ADRA1A REN 1348/4885MEN1 1825/4885KMT2A 1601/4885
US-20140127240-A1 Novel Binder-Drug Conjugates (ADCs) and Use of Same DDR1, IGFBP6, KDR REN 678/4885MEN1 2520/4885KMT2A 2660/4885
US-20150246136-A1 NOVEL BINDER-DRUG CONJUGATES (ADCs) AND USE OF SAME DDR1, IGFBP6, KDR REN 678/4885MEN1 2520/4885KMT2A 2660/4885

“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.