SCHEMBL6509099

SCHEMBL6509099

COc1ccc(C(=O)NC[C@H](NC(=O)C2CCN(C(=O)C=Cc3ccc(SC)c(Cl)c3Cl)CC2)C(=O)O)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 9/20 0.49
ITGB2 P05107 7/20 0.49
ICAM1 P05362 7/20 0.49
CAPN1 P07384 3/20 0.40
NPC1 O15118 1/20 0.39
APOBEC3A P31941 1/20 0.39
RAB9A P51151 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL6509091 1.00 ITGAL (0.49) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6509111 1.00 ITGAL (0.49) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6497948 0.93 ITGAL (0.49) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6497963 0.93 ITGAL (0.49) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6497937 0.93 ITGAL (0.49) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6497168 0.91 ITGAL (0.48) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6497150 0.91 ITGAL (0.48) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6497139 0.91 ITGAL (0.48) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6498043 0.90 ITGAL (0.47) ITGALITGB2ICAM1CAPN1NPC1
SCHEMBL6498020 0.90 ITGAL (0.47) ITGALITGB2ICAM1CAPN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
US-20190218194-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. 2019-07-18 US disclosed
EP-3363434-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme Inc (US) 2018-08-22 EP disclosed
EP-2970131-B1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF EPIZYME INC (US) 2017-11-15 EP disclosed
US-20170088529-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-03-30 US disclosed
US-9365527-B2 Arginine methyltransferase inhibitors and uses thereof Epizyme, Inc. (US) 2016-06-14 US disclosed
US-20160031839-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-02-04 US disclosed
EP-2970131-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-20 EP disclosed
US-20140315961-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-10-23 US disclosed
WO-2014153100-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-25 WO disclosed
US-6960595-B2 5-6 to 5-7 Heterobicycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-01 US disclosed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed
US-20030018023-A1 5-6 or 5-7 Heterobicycles as Factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-23 US disclosed
US-5552554-A Imidazole and triazole carboxylates, and processes for preparing 2,4-oxazolidinediones E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-03 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 (5 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-20030018023-A1 5-6 or 5-7 Heterobicycles as Factor Xa inhibitors HABP2, SERPINC1, F7 ITGAL 1467/4885ITGB2 2406/4885ICAM1 3283/4885
US-20140315961-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 ITGAL 4314/4885ITGB2 4410/4885ICAM1 3121/4885
US-20160031839-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 ITGAL 4314/4885ITGB2 4410/4885ICAM1 3121/4885
US-20190218194-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 ITGAL 4314/4885ITGB2 4410/4885ICAM1 3121/4885
US-20170088529-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 ITGAL 4314/4885ITGB2 4410/4885ICAM1 3121/4885

“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.