SCHEMBL6462716

SCHEMBL6462716

NC(=O)c1ccc(C2CCS(O)(O)c3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
PLA2G10 O15496 1/20 0.37
PLA2G2A P14555 1/20 0.37
CYP2C19 P33261 2/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
PARP1 P09874 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2C9 P11712 2/20 0.36
HAO1 Q9UJM8 1/20 0.36
GAA P10253 1/20 0.35
HSD11B1 P28845 2/20 0.35

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
SCHEMBL6462707 0.86 L3MBTL1 (0.37) KDM1AMAOAPLA2G10PLA2G2ACYP2C19
SCHEMBL6490874 0.83 RAB9A (0.42) MAPTTSHRHSD17B10TDP1L3MBTL1
SCHEMBL4053425 0.73 HAO1 (0.39) TSHRHAO1MEN1KMT2A
SCHEMBL14360065 0.71 HAO1 (0.64) HAO1HSD11B1KMT2A
SCHEMBL2906599 0.69 SLC6A2 (0.33) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL2762400 0.64 CYP2C9 (0.69) CYP2C19POLBCYP3A4PARP1MAPT
Terephthalamide SCHEMBL27974622 0.64 KMT2A (0.59) PLA2G10PLA2G2ACYP2C19POLBCYP3A4
SCHEMBL6223726 0.63 ESR2 (0.34) CYP3A4CYP2C9MEN1KMT2A
Hydrochloric Acid SCHEMBL28200483 0.63 CYP2C9 (0.67) CYP2C19POLBCYP3A4PARP1MAPT
SCHEMBL17963141 0.61 HDAC8 (0.61) CYP2C9HAO1PARP10PARP15PARP2

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-6906053-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US disclosed
US-20040209874-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) SHEPPECK JAMES E (US) 2004-10-21 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 (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-20040209874-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 KDM1A 1505/4885MAOA 1482/4885PLA2G10 4145/4885

“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.