SCHEMBL7067227

SCHEMBL7067227

COC(=O)[C@@H](CC(C)C)N1CC[C@@](N)(c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1=O.CS(=O)(=O)O.CS(=O)(=O)O

nearest known ligand 0.80

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 16/20 0.80
MMP2 P08253 12/20 0.80
MMP13 P45452 10/20 0.80
MMP9 P14780 6/20 0.80
MMP3 P08254 5/20 0.80
MMP1 P03956 4/20 0.80
MMP7 P09237 4/20 0.80
MMP8 P22894 4/20 0.80
MMP14 P50281 4/20 0.80
ADAM10 O14672 3/20 0.80
MMP15 P51511 1/20 0.57
MMP16 P51512 1/20 0.57
ADAM33 Q9BZ11 1/20 0.57

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
SCHEMBL8354979 0.91 ADAM17 (0.82) ADAM17MMP2MMP13MMP9MMP3
SCHEMBL6350415 0.89 ADAM17 (1.00) ADAM17MMP2MMP13MMP9MMP3
SCHEMBL6350418 0.89 ADAM17 (1.00) ADAM17MMP2MMP13MMP9MMP3
SCHEMBL1021287 0.89 ADAM17 (1.00) ADAM17MMP2MMP13MMP9MMP3
SCHEMBL29732231 0.89 ADAM17 (1.00) ADAM17MMP2MMP13MMP9MMP3
SCHEMBL4356730 0.88 ADAM17 (0.86) ADAM17MMP2MMP13MMP9MMP3
SCHEMBL7087215 0.84 ADAM17 (0.76) ADAM17MMP2MMP13MMP9MMP3
SCHEMBL6687471 0.83 ADAM17 (0.79) ADAM17MMP2MMP13MMP9MMP3
SCHEMBL4200591 0.83 ADAM17 (0.87) ADAM17MMP2MMP13MMP9MMP3
SCHEMBL13777102 0.83 ADAM17 (0.87) ADAM17MMP2MMP13MMP9MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232079-A1 DPC 333 formulation having unique biopharmaceutical characteristics BRISTOL-MYERS SQUIBB COMPANY 2003-12-18 US disclosed
WO-2003082287-A1 DPC 333 FORMULATION HAVING UNIQUE BIOPHARMACEUTICAL CHARACTERISTICS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-09 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-20030232079-A1 DPC 333 formulation having unique biopharmaceutical characteristics ADAM33, PTMA, TNF ADAM17 9/4885MMP2 90/4885MMP13 49/4885

“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.