SCHEMBL16909317

SCHEMBL16909317

CCc1cc(S(C)(=O)=O)ncc1I

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ NR1H2 P55055 1/20 0.30
▸ NR1H3 Q13133 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIP5K1C O60331 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PI4KA P42356 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ PI4KB Q9UBF8 1/20 0.30

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
SCHEMBL16909250 0.81 NOS3 (0.39) NOS3NOS1NOS2PIK3CDPIP5K1C
SCHEMBL18594441 0.79 NOS3 (0.40) NOS3NOS1NOS2PIK3CDPIP5K1C
SCHEMBL14242833 0.76 NOS3 (0.53) NOS3NOS1NOS2NR1H2NR1H3
SCHEMBL14242832 0.74 NOS3 (0.35) NOS3NOS1NOS2NR1H2NR1H3
SCHEMBL12549572 0.73 PIK3CD (0.31) NOS3NOS1NOS2PIK3CDPIP5K1C
SCHEMBL16909314 0.73 HTT (0.39) —
SCHEMBL16651152 0.72 FYN (0.32) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL1459825 0.71 NOS3 (0.34) NOS3NOS1NOS2
SCHEMBL503118 0.71 NOS3 (0.57) NOS3NOS1NOS2PIK3CB
SCHEMBL19260832 0.67 CA12 (0.36) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190152922-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2019-05-23 — — US disclosed
US-20190152922-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2019-05-23 — — US disclosed
US-10179771-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2019-01-15 — — US disclosed
US-10179771-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2019-01-15 — — US disclosed
EP-3395802-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos N.V. (BE) 2018-10-31 — — EP disclosed
EP-3097083-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2018-08-08 — — EP disclosed
EP-3097083-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2018-08-08 — — EP disclosed
US-20170057928-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GILEAD SCIENCES, INC. 2017-03-02 — — US disclosed
US-20170057928-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GILEAD SCIENCES, INC. 2017-03-02 — — US disclosed
US-20170057928-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GILEAD SCIENCES, INC. 2017-03-02 — — US disclosed
EP-3097083-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos NV (BE) 2016-11-30 — — EP disclosed
US-9440929-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2016-09-13 — — US disclosed
US-9440929-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2016-09-13 — — US disclosed
US-9440929-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2016-09-13 — — US disclosed
WO-2015110378-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2015-07-30 — — WO disclosed
WO-2015110378-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2015-07-30 — — WO disclosed
US-20150203455-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GILEAD SCIENCES, INC. 2015-07-23 — — US disclosed
US-20150203455-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GILEAD SCIENCES, INC. 2015-07-23 — — US disclosed
US-20150203455-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GILEAD SCIENCES, INC. 2015-07-23 — — 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 (4 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-20190152922-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS JAK1, IL6, JAK3 NOS3 332/4885NOS1 294/4885NOS2 435/4885
US-10179771-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders JAK1, JAK3, IL6 NOS3 364/4885NOS1 334/4885NOS2 473/4885
US-20170057928-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS JAK1, IL6, JAK3 NOS3 332/4885NOS1 294/4885NOS2 435/4885
US-20150203455-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS JAK1, IL6, JAK3 NOS3 332/4885NOS1 294/4885NOS2 435/4885

“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.

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