SCHEMBL532636

SCHEMBL532636

O=S(=O)(c1ccc(-c2nn3c(I)cnc3s2)cc1)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.49
GAA P10253 4/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.48
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 8/20 0.44
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 4/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
JAK2 O60674 1/20 0.43
MAPT P10636 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
SCHEMBL532981 0.87 PIK3CA (0.64) PIK3CAGAAKMT2APOLBMEN1
SCHEMBL532637 0.78 POLB (0.49) GAAKMT2APOLBMEN1MAPK1
SCHEMBL15975830 0.76 PIK3CA (0.68) PIK3CAGAAKMT2APOLBMEN1
SCHEMBL533270 0.76 PIK3CA (0.83) PIK3CAMAPK1JAK2
SCHEMBL12793245 0.70 POLB (0.88) GAAKMT2APOLBMEN1MAPK1
SCHEMBL2477364 0.69 POLB (0.73) GAAKMT2APOLBMEN1MAPK1
SCHEMBL624034 0.68 LMNA (0.48) POLBLMNAMAPT
SCHEMBL25653560 0.67 MKNK1 (0.72) KMT2APOLBMEN1HPGD
SCHEMBL15759044 0.67 KMT2A (0.55) GAAKMT2APOLBMEN1MAPK1
SCHEMBL5343051 0.67 ALDH1A1 (0.56) GAAKMT2APOLBMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414369-B1 IMIDAZO[2,1-B][1,3,4]THIADIAZOLE DERIVATIVES FUNDACIÓN CT NAC DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) 2015-08-12 EP disclosed
US-8815918-B2 Imidazo [2, 1-B] [1, 3, 4] thiadiazole derivatives CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-08-26 US disclosed
US-20120094996-A1 Imidazo [2, 1-B] [1, 3, 4] Thiadiazole Derivatives CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-19 US disclosed
EP-2414369-A1 IMIDAZO [2, 1-B][ 1, 3, 4]THIADIAZOLE DERIVATIVES Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2012-02-08 EP disclosed
WO-2010112874-A1 IMIDAZO [2, 1-B] [ 1, 3, 4 ] THIADIAZOLE DERIVATIVES CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2010-10-07 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-20120094996-A1 Imidazo [2, 1-B] [1, 3, 4] Thiadiazole Derivatives PIK3CA, PI4KA, PIK3CD PIK3CA 1/4885GAA 2476/4885KMT2A 2527/4885

“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.