SCHEMBL16909314

SCHEMBL16909314

CCc1cc(S(C)(=O)=O)ncc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PIM3 Q86V86 1/20 0.36
▸ VCAM1 P19320 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ THRB P10828 4/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ PKM P14618 2/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ CXCR5 P32302 1/20 0.34
▸ APLNR P35414 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CCR6 P51684 1/20 0.34
▸ GFER P55789 1/20 0.34

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
SCHEMBL28304227 0.79 TDP1 (0.41) HTTPOLBGAAALDH1A1MAPT
SCHEMBL16235666 0.76 ALDH1A1 (0.41) VCAM1ALDH1A1MAPTPKMKDM4E
SCHEMBL29812036 0.76 ALDH1A1 (0.41) VCAM1ALDH1A1MAPTPKMKDM4E
SCHEMBL18398201 0.76 SMN1; SMN2 (0.45) HTTPOLBSMN1; SMN2PIM3GAA
SCHEMBL31030195 0.75 POLB (0.45) POLBVCAM1ALDH1A1THRBTDP1
SCHEMBL24455583 0.75 SNCA (0.42) HTTPOLBSMN1; SMN2PIM3GAA
SCHEMBL15173646 0.75 SMN1; SMN2 (0.41) HTTPOLBSMN1; SMN2PIM3GAA
SCHEMBL15881241 0.75 SMN1; SMN2 (0.41) HTTPOLBSMN1; SMN2PIM3VCAM1
SCHEMBL24455815 0.75 NOS3 (0.50) HTTPOLBSMN1; SMN2GAAALDH1A1
SCHEMBL18594441 0.74 NOS3 (0.40) —

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 20 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
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
WO-2017012647-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2017-01-26 — — WO disclosed
WO-2017012647-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2017-01-26 — — WO 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 HTT 3225/4885POLB 2840/4885SMN1; SMN2 4626/4885
US-10179771-B2 Compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders JAK1, JAK3, IL6 HTT 2876/4885POLB 2696/4885SMN1; SMN2 4648/4885
US-20170057928-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS JAK1, IL6, JAK3 HTT 3225/4885POLB 2840/4885SMN1; SMN2 4626/4885
US-20150203455-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS JAK1, IL6, JAK3 HTT 3225/4885POLB 2840/4885SMN1; SMN2 4626/4885

“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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