SCHEMBL6475448

SCHEMBL6475448

CCCS(=O)(=O)NCC(C)Oc1ccc(-c2ccc(CNC(=O)C(C)C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
RECQL P46063 1/20 0.39
MTNR1A P48039 5/20 0.38
MTNR1B P49286 5/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
HDAC1 Q13547 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PTGES O14684 1/20 0.37
GRIA4 P48058 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
POLB P06746 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
SCHEMBL6481142 0.90 MTNR1A (0.47) MTNR1AMTNR1BHDAC1NPC1RAB9A
SCHEMBL6481831 0.89 GAA (0.40) MTNR1ACA1CA2CA7CA14
SCHEMBL6475845 0.87 GRIA4 (0.41) MTNR1AMTNR1BCA1CA2GRIA4
SCHEMBL6475441 0.85 GRIA4 (0.42) ERCC1ERCC4RECQLMTNR1AMTNR1B
SCHEMBL6482324 0.85 GRIA4 (0.46) MTNR1AMTNR1BCA2GRIA4
SCHEMBL6480684 0.84 CA1 (0.41) RECQLMTNR1AMTNR1BCA1CA2
SCHEMBL6480391 0.84 TP53 (0.40) RECQLMTNR1AMTNR1BNPC1RAB9A
SCHEMBL6766022 0.84 TP53 (0.41) MTNR1AMTNR1BGRIA4
SCHEMBL6482281 0.82 ACACB (0.50) MTNR1AMTNR1B
SCHEMBL6473902 0.81 GRIA4 (0.41) CA1CA2NPC1RAB9AGRIA4

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-6911476-B2 Sulfonamide derivatives ELI LILLY AND COMPANY (US) 2005-06-28 US claimed
US-20030225266-A1 Sulfonamide derivatives ELI LILLY AND COMPANY 2003-12-04 US claimed
EP-1265857-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-12-18 EP claimed
WO-2001068592-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-09-20 WO claimed
US-6911476-B2 Sulfonamide derivatives ELI LILLY AND COMPANY (US) 2005-06-28 US disclosed
US-20030225266-A1 Sulfonamide derivatives ELI LILLY AND COMPANY 2003-12-04 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-20030225266-A1 Sulfonamide derivatives GRIN2A, GRM2, GRIA2 ERCC1 4671/4885ERCC4 4707/4885RECQL 4680/4885

“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.