SCHEMBL6493237

SCHEMBL6493237

Cc1nc2ccccc2c(Cc2ccc(C(=O)O)cc2)c1C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.54
ADAM17 P78536 2/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 2/20 0.47
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 1/20 0.45
SRD5A2 P31213 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DHFR P00374 1/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.43
PDE7A Q13946 1/20 0.43
PDE7B Q9NP56 1/20 0.43
ATM Q13315 1/20 0.43
KAT8 Q9H7Z6 1/20 0.42
PTGER4 P35408 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL6211757 0.88 MEN1 (0.50) PDE10AADAM17MEN1KMT2ALMNA
SCHEMBL6492382 0.87 AR (0.53) PDE10AADAM17MEN1KMT2AKDM4E
SCHEMBL6490440 0.80 PDE10A (0.45) PDE10AADAM17MEN1KMT2AHTT
SCHEMBL6216951 0.77 DHFR (0.49) ADAM17MEN1KMT2ALMNAKDM4E
SCHEMBL6629146 0.76 KDM4E (0.44) MEN1KMT2ALMNAKDM4EMAPK1
SCHEMBL3967865 0.76 ADAM17 (0.57) ADAM17MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL6213289 0.76 KMT2A (0.41) MEN1KMT2ALMNAKDM4EMAPK1
SCHEMBL6631534 0.76 AR (0.52) MEN1KMT2AKDM4EMAPK1SMN1; SMN2
SCHEMBL3970688 0.75 PDE10A (0.56) PDE10AMEN1KMT2AHTTKDM4E
SCHEMBL6262668 0.74 SRD5A2 (0.44) MEN1KMT2ALMNAKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962938-B2 Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-20040132693-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2004-07-08 US disclosed
US-6740649-B2 ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS BRISTOL-MYERS SQUIBB COMPANY 2004-05-25 US disclosed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 US disclosed
US-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-07-24 US disclosed
US-20030087882-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-05-08 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 (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-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAMTS1, MMP1, ADAM17 PDE10A 4227/4885ADAM17 3/4885MEN1 2637/4885
US-20030087882-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) ADAM17, ADAM9, TIMP3 PDE10A 2955/4885ADAM17 1/4885MEN1 1448/4885
US-20040132693-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) ADAM17, ADAM9, TIMP3 PDE10A 2955/4885ADAM17 1/4885MEN1 1448/4885

“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.