SCHEMBL8724334

SCHEMBL8724334

COC(=O)[C@H](Cc1ccccc1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.49
ITGB7 P26010 1/20 0.49
REN P00797 1/20 0.48
MMP13 P45452 1/20 0.47
KLK5 Q9Y337 2/20 0.46
ABCB1 P08183 1/20 0.44
ATM Q13315 2/20 0.44
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8724329 1.00 ITGA4 (0.49) ITGA4ITGB7RENMMP13KLK5
SCHEMBL12600955 1.00 ITGA4 (0.49) ITGA4ITGB7RENMMP13KLK5
SCHEMBL6600202 0.88 MMP8 (0.46) ITGA4ITGB7RENMMP13ATM
SCHEMBL20422634 0.88 ESR1 (0.49) ITGA4ITGB7RENMMP13CTSS
SCHEMBL20422635 0.88 ESR1 (0.49) ITGA4ITGB7RENMMP13CTSS
SCHEMBL17137969 0.88 ITGA4 (0.50) ITGA4ITGB7KLK5ATMCTSS
SCHEMBL13163803 0.88 ITGA4 (0.50) ITGA4ITGB7KLK5ATMCTSS
SCHEMBL7609380 0.88 ITGA4 (0.50) ITGA4ITGB7KLK5ATMCTSS
SCHEMBL1401042 0.87 MMP13 (0.46) ITGA4ITGB7RENMMP13ATM
SCHEMBL65502 0.87 MMP13 (0.46) ITGA4ITGB7RENMMP13ATM

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
US-20260131016-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF ADCENTRX THERAPEUTICS INC (US) 2026-05-14 US disclosed
EP-4426714-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF Adcentrx Therapeutics Inc. (US) 2024-09-11 EP disclosed
CN-118541378-A Novel auristatin analogues and immunoconjugates thereof 艾德森特克斯治疗股份有限公司 2024-08-23 CN disclosed
WO-2023081230-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF ADCENTRX THERAPEUTICS INC. (US) 2023-05-11 WO disclosed
WO-2023081230-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF ADCENTRX THERAPEUTICS INC. (US) 2023-05-11 WO disclosed
WO-2020189621-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND 日産化学株式会社 2020-09-24 WO disclosed
US-5780498-A PEPTIDE DERIVATIVES FOR CARDIOVASCULAR AND BRAIN DISORDERS CIBA-GEIGY JAPAN LIMITED (JP) 1998-07-14 US disclosed
EP-0728145-A1 ENDOTHELIN RECEPTOR ANTAGONISTS Ciba-Geigy Japan Limited (JP) 1996-08-28 EP disclosed
WO-1995012611-A1 ENDOTHELIN RECEPTOR ANTAGONISTS JAPAT LTD. (CH) 1995-05-11 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-20260131016-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF FCGR2A, FCGR3B, AURKC ITGA4 1357/4885ITGB7 433/4885REN 1809/4885

“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.