SCHEMBL6575871

SCHEMBL6575871

CCCS(=O)(=O)NCC(C)c1ccc2cc(OC)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.54
PTGS2 P35354 4/20 0.51
GRIA4 P48058 1/20 0.50
TSHR P16473 3/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
AKR1C3 P42330 7/20 0.48
AKR1C2 P52895 7/20 0.48
PTGS1 P23219 3/20 0.46
AKR1C1 Q04828 1/20 0.46
CDC42 P60953 1/20 0.46
RAC1 P63000 1/20 0.46
CYP1A2 P05177 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
ALOX5 P09917 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43

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
SCHEMBL6759350 0.86 GRIA4 (0.47) ABCB11PTGS2GRIA4TSHRKDM4E
SCHEMBL6573583 0.84 GRIA4 (0.48) ABCB11PTGS2GRIA4TSHRKDM4E
SCHEMBL6762651 0.83 GRIA4 (0.47) ABCB11PTGS2GRIA4TSHRKDM4E
SCHEMBL6572002 0.83 GRIA4 (0.51) ABCB11PTGS2GRIA4TSHRKDM4E
SCHEMBL6575869 0.82 ABCB11 (0.57) ABCB11PTGS2GRIA4TSHRAKR1C3
SCHEMBL6762961 0.82 KDM4E (0.44) PTGS2GRIA4KDM4EAKR1C3AKR1C2
SCHEMBL6763807 0.82 ALDH1A1 (0.47) PTGS2GRIA4AKR1C3AKR1C2LMNA
SCHEMBL6763013 0.81 GRIA4 (0.43) ABCB11PTGS2GRIA4TSHRKDM4E
SCHEMBL6565123 0.81 GRIA4 (0.68) GRIA4
SCHEMBL6762662 0.81 GRIA4 (0.41) ABCB11PTGS2GRIA4TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147612-A1 Sulfonamide derivatives DAVISON JOSHUA ZWICK (US) 2004-07-29 US disclosed
EP-1409452-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2004-04-21 EP disclosed
WO-2002098846-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-12-12 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-20040147612-A1 Sulfonamide derivatives GRIN1, GRIN2A, GRIA1 ABCB11 666/4885PTGS2 959/4885GRIA4 9/4885

“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.