SCHEMBL3900552

SCHEMBL3900552

COC(=O)c1ccccc1NS(=O)(=O)C1=CC=CN2SNC=C12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 3/20 0.44
HSD17B10 Q99714 2/20 0.43
TP53 P04637 2/20 0.43
ALOX15 P16050 1/20 0.43
LMNA P02545 5/20 0.42
POLB P06746 4/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HTT P42858 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL3899461 0.88 MEN1 (0.44) KMT2AMEN1GAAHSD17B10TP53
SCHEMBL3902392 0.88 KMT2A (0.36) KMT2AMEN1GAATSHRHSD17B10
SCHEMBL1891226 0.86 KCNH2 (0.39) KMT2AMEN1GAAHSD17B10LMNA
SCHEMBL3744902 0.86 CMA1 (0.41) KMT2AMEN1GAAHSD17B10LMNA
SCHEMBL3745614 0.86 CCKBR (0.43) KMT2AMEN1GAAHSD17B10ALDH1A1
SCHEMBL1888299 0.86 KDM4E (0.37) KMT2AMEN1GAATSHRHSD17B10
SCHEMBL3751283 0.86 CMA1 (0.41) KMT2ATP53LMNAPOLBHTT
SCHEMBL3746122 0.84 KDM4E (0.36) KMT2AMEN1GAATSHRHSD17B10
SCHEMBL1891320 0.84 MCL1 (0.40) GAAHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL1893398 0.84 KDM4E (0.34) KMT2AMEN1GAAHSD17B10ALDH1A1

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-7550492-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-23 US disclosed
US-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 US disclosed
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed
EP-1675837-A2 BENZO [1,2,5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-05 EP disclosed
WO-2005012275-A2 BENZO [1, 2, 5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-10 WO disclosed
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2004-11-11 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 (2 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-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS CCKBR, CCKAR, GIPR KMT2A 3053/4885MEN1 2768/4885GAA 3065/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 KMT2A 3281/4885MEN1 2441/4885GAA 3387/4885

“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.