SCHEMBL2116789

SCHEMBL2116789

COc1ccc(S(=O)(=O)Nc2cc(-c3ccc(C)o3)ccc2C)nc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.53
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 2/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GSK3B P49841 1/20 0.39
P2RX7 Q99572 3/20 0.39
PTGER4 P35408 1/20 0.38
SHMT2 P34897 1/20 0.38
KEAP1 Q14145 1/20 0.37

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
SCHEMBL2118088 0.87 RAB9A (0.47) GHSRRAB9ANPC1MAPTTP53
SCHEMBL2119629 0.85 GHSR (0.43) GHSRRAB9ANPC1MAPTTP53
SCHEMBL2118706 0.84 TRIM24 (0.45) GHSRRAB9ANPC1MAPTTP53
SCHEMBL2118122 0.83 MAPT (0.48) GHSRRAB9ANPC1MAPTALDH1A1
SCHEMBL2121515 0.81 GHSR (0.43) GHSRRAB9AMAPTTP53LMNA
SCHEMBL2119972 0.81 MAPT (0.42) GHSRRAB9ANPC1MAPTPOLB
SCHEMBL2121942 0.80 SLC40A1 (0.46) GHSRRAB9AMAPTPOLBALDH1A1
SCHEMBL2118052 0.80 GHSR (0.42) GHSRRAB9ANPC1MAPTTP53
SCHEMBL2117725 0.80 GHSR (0.41) GHSRRAB9ANPC1MAPTPOLB
SCHEMBL2117419 0.80 USP2 (0.42) GHSRRAB9ANPC1MAPTTP53

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-20120095012-A1 TOLUIDINE SULFONAMIDES AND THEIR USE ELARA PHARMACEUTICALS GMBH (DE) 2012-04-19 US disclosed
EP-2382190-A1 TOLUIDINE SULFONAMIDES AND THEIR USE AS-INHIBITORS European Molecular Biology Laboratory (EMBL) (DE) 2011-11-02 EP 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-20120095012-A1 TOLUIDINE SULFONAMIDES AND THEIR USE HIF1A, HIF1AN, EGLN3 GHSR 1390/4885RAB9A 3898/4885NPC1 3943/4885

“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.