Sugi Predict

Sugi Predict / Compounds / SCHEMBL2233530

SCHEMBL2233530

SCHEMBL2233530

O=[N+]([O-])c1ccc(CCS(=O)(=O)Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.56
▸ KCNJ1 P48048 3/20 0.50
▸ KCNH2 Q12809 2/20 0.50
▸ LOXL2 Q9Y4K0 1/20 0.50
▸ CA1 P00915 4/20 0.48
▸ CA2 P00918 4/20 0.48
▸ CA12 O43570 3/20 0.48
▸ CA4 P22748 2/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.47
▸ CA9 Q16790 2/20 0.46
▸ CA14 Q9ULX7 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ IDO1 P14902 2/20 0.46
▸ CA3 P07451 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA13 Q8N1Q1 1/20 0.46

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
SCHEMBL4768686 0.92 TSHR (0.49) TSHRKCNJ1KCNH2LOXL2CA1
SCHEMBL28531315 0.85 TSHR (0.60) TSHRKCNJ1KCNH2LOXL2CA1
SCHEMBL291237 0.81 TSHR (0.61) TSHRKCNJ1KCNH2LOXL2CA1
SCHEMBL8898338 0.81 TSHR (0.56) TSHRKCNJ1KCNH2LOXL2CA1
SCHEMBL9259965 0.81 TSHR (0.56) TSHRKCNJ1KCNH2LOXL2CA1
SCHEMBL31540565 0.81 TSHR (0.56) TSHRKCNJ1KCNH2LOXL2CA1
SCHEMBL1425484 0.81 LOXL2 (0.53) TSHRLOXL2CA1CA2CA12
SCHEMBL879695 0.80 TSHR (0.60) TSHRCA2CYP2C19CYP1A2CYP2C9
SCHEMBL3292782 0.80 TSHR (0.75) TSHRKCNJ1KCNH2LOXL2HRH3
SCHEMBL24541236 0.79 TSHR (0.53) TSHRKCNJ1KCNH2LOXL2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 — — US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 — — US disclosed
US-9452996-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-09-27 — — US disclosed
EP-2021329-B1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2016-04-13 — — EP disclosed
US-20160046602-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2016-02-18 — — US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 — — US disclosed
US-9221797-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2015-12-29 — — US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 — — US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 — — US disclosed
US-8829208-B2 Process for the preparation of darunavir and darunavir intermediates MAPI PHARMA LTD. (IL) 2014-09-09 — — US disclosed
EP-1937681-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-02 — — EP disclosed
US-20080114007-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-15 — — US disclosed
WO-2008055013-A2 5-OXO-5,8 - DIHYDRO - PYRIDO - PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-08 — — WO disclosed
WO-2007124318-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 — — WO disclosed
WO-2007123516-A1 C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 — — WO disclosed
US-20070249649-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 — — US disclosed
WO-2007033232-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-03-22 — — WO disclosed
US-20070060577-A1 5-Oxo-5,8-dihydro-pyrido-pyrimidines as inhibitors of c-fms kinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-15 — — US disclosed
US-20060258666-A1 c-fms kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-16 — — US disclosed
US-4994483-A 5-substituted-3-aminoalkyl indole derivatives for migraine GLAXO GROUP LIMITED (GB) 1991-02-19 — — 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 (6 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-20080114007-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE FLT3, FES, ALK TSHR 1688/4885KCNJ1 4514/4885KCNH2 3089/4885
US-20070249649-A1 INHIBITORS OF C-FMS KINASE FES, MUSK, FRK TSHR 1034/4885KCNJ1 1666/4885KCNH2 880/4885
US-20060258666-A1 c-fms kinase inhibitors FLT3, FES, FER TSHR 904/4885KCNJ1 3356/4885KCNH2 1870/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 TSHR 914/4885KCNJ1 56/4885KCNH2 234/4885
US-20070060577-A1 5-Oxo-5,8-dihydro-pyrido-pyrimidines as inhibitors of c-fms kinase FLT3, FES, FGR TSHR 1862/4885KCNJ1 4037/4885KCNH2 2366/4885
US-20160046602-A1 INHIBITORS OF C-FMS KINASE FES, MUSK, FRK TSHR 1034/4885KCNJ1 1666/4885KCNH2 880/4885

“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.