SCHEMBL1105488

SCHEMBL1105488

COC(=O)[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](C)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
KCNN4 O15554 2/20 0.43
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
KIF11 P52732 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SRC P12931 1/20 0.37
CES1 P23141 1/20 0.37
SLC6A4 P31645 1/20 0.37
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
KLK5 Q9Y337 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
SCHEMBL5413928 1.00 KMT2A (0.43) KMT2AKCNN4PTGS1PTGS2CYP1A2
SCHEMBL12379297 1.00 KMT2A (0.43) KMT2AKCNN4PTGS1PTGS2CYP1A2
SCHEMBL1109144 1.00 KMT2A (0.43) KMT2AKCNN4PTGS1PTGS2CYP1A2
SCHEMBL5413934 1.00 KMT2A (0.43) KMT2AKCNN4PTGS1PTGS2CYP1A2
SCHEMBL18307298 0.89 KMT2A (0.44) KMT2AKCNN4PTGS1PTGS2SRC
SCHEMBL3022514 0.86 KMT2A (0.42) KMT2AKCNN4PTGS1PTGS2CYP1A2
SCHEMBL6746235 0.85 MME (0.42) KMT2AKCNN4CYP1A2CYP2D6KIF11
SCHEMBL6746239 0.85 MME (0.42) KMT2AKCNN4CYP1A2CYP2D6KIF11
SCHEMBL13267379 0.84 KMT2A (0.41) KMT2AKCNN4PTGS1PTGS2CYP1A2
SCHEMBL9510102 0.83 MME (0.41) KCNN4CYP1A2CYP2D6KIF11CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12473283-B2 Compounds and their use DEBIOPHARM INTERNATIONAL S.A. (CH) 2025-11-18 US disclosed
US-20230159519-A1 NOVEL COMPOUNDS AND THEIR USE DEBIOPHARM INTERNATIONAL S.A. (CH) 2023-05-25 US disclosed
US-20230159519-A1 NOVEL COMPOUNDS AND THEIR USE DEBIOPHARM INTERNATIONAL S.A. (CH) 2023-05-25 US disclosed
EP-4077324-A1 NOVEL COMPOUNDS AND THEIR USE Debiopharm International SA (CH) 2022-10-26 EP disclosed
WO-2021123372-A1 NOVEL COMPOUNDS AND THEIR USE DEBIOPHARM INTERNATIONAL S.A. (CH) 2021-06-24 WO disclosed
EP-2914613-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-22 EP disclosed
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
US-9598433-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20100120872-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-05-13 US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 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 (8 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS KMT2A 4800/4885KCNN4 4295/4885PTGS1 352/4885
US-20230159519-A1 NOVEL COMPOUNDS AND THEIR USE LSS, PGLS, LDHB KMT2A 275/4885KCNN4 4348/4885PTGS1 2403/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS KMT2A 4800/4885KCNN4 4295/4885PTGS1 352/4885
US-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 KMT2A 4779/4885KCNN4 4387/4885PTGS1 334/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 KMT2A 4779/4885KCNN4 4387/4885PTGS1 334/4885
US-20100120872-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 KMT2A 3407/4885KCNN4 1639/4885PTGS1 1180/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS KMT2A 4800/4885KCNN4 4295/4885PTGS1 352/4885
US-12473283-B2 Compounds and their use LSS, PGLS, LDHB KMT2A 266/4885KCNN4 4247/4885PTGS1 2348/4885

“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.