SCHEMBL4773566

SCHEMBL4773566

CS(=O)(=O)CCCOc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
TSHR P16473 2/20 0.43
CA12 O43570 2/20 0.43
CA7 P43166 2/20 0.43
RAB9A P51151 2/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL17841536 0.91 KDM4E (0.46) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL9913967 0.83 ALDH1A1 (0.47) DRD4DRD2DRD3ALDH1A1CA1
SCHEMBL15782894 0.83 DRD2 (0.52) DRD4DRD2DRD3ALDH1A1CA1
SCHEMBL2227724 0.83 TDP1 (0.52) KDM4EALDH1A1CA1CA2CA9
SCHEMBL7245161 0.81 KCNA3 (0.58) DRD4DRD2DRD3L3MBTL1
SCHEMBL22749055 0.80 KDM4E (0.48) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL17471328 0.79 HRH3 (0.49) KDM4EALDH1A1CA1CA2CA9
SCHEMBL15286982 0.78 PDIA6 (0.49) CA1CA2CA9TSHRCA12
SCHEMBL16523392 0.78 PDIA6 (0.53) TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL3165060 0.78 FFAR1 (0.40) CA1CA2CA9TSHRCA12

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765752-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-07-01 US disclosed
US-8765752-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-07-01 US disclosed
US-8765752-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-07-01 US disclosed
EP-2703394-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 EP disclosed
EP-2703394-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 EP disclosed
US-8629102-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-01-14 US disclosed
US-8629102-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-01-14 US disclosed
US-8629102-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-01-14 US disclosed
US-8557766-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-10-15 US disclosed
US-8557766-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-10-15 US disclosed
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-11-01 US disclosed
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-11-01 US disclosed
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-11-01 US disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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 (3 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 DRD4 2085/4885DRD2 1877/4885DRD3 3293/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 DRD4 461/4885DRD2 237/4885DRD3 519/4885
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE GPR119, GPR27, GPR65 DRD4 1000/4885DRD2 893/4885DRD3 342/4885

“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.