SCHEMBL949044

SCHEMBL949044

O=S(=O)(Cl)c1cccc(-c2cnco2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
MAP4K4 O95819 1/20 0.55
POLB P06746 1/20 0.49
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
HDAC4 P56524 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45

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
SCHEMBL27848461 0.84 KMT2A (0.55) KMT2AMEN1MAP4K4POLBCYP11B1
SCHEMBL343986 0.82 NOTUM (0.61) KMT2AMEN1POLBCYP11B1CYP11B2
SCHEMBL2158739 0.79 KMT2A (0.75) KMT2AMEN1MAP4K4POLBCYP11B1
SCHEMBL27712073 0.78 KMT2A (0.59) KMT2AMEN1MAP4K4POLBCYP11B1
SCHEMBL14620819 0.78 NOTUM (0.56) KMT2AMEN1POLBCYP11B1CYP11B2
SCHEMBL10408548 0.75 ALDH1A1 (0.56) PFKFB3ALDH1A1HSD17B10TDP1LMNA
SCHEMBL18394452 0.75 MEN1 (0.64) KMT2AMEN1MAP4K4CYP11B1CYP11B2
SCHEMBL5270396 0.74 MEN1 (0.58) KMT2AMEN1MAP4K4CYP11B1CYP11B2
SCHEMBL29808221 0.73 KMT2A (0.66) KMT2AMEN1MAP4K4POLBCYP11B1
SCHEMBL4249325 0.72 MEN1 (0.55) KMT2AMEN1MAP4K4CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868023-B2 Thiophene sulfoximines, compositions thereof, and methods of treating complement-mediated diseases and conditions JANSSEN PHARMACEUTICA NV (BE) 2011-01-11 US disclosed
EP-1863785-B1 NOVEL THIOPHENE SULFOXIMINES FOR TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS JANSSEN PHARMACEUTICA NV (BE) 2009-12-02 EP disclosed
US-7605168-B2 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. (US) 2009-10-20 US disclosed
US-20080255108-A1 NOVEL THIOPHENE SULFOXIMINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS SUBASINGHE NALIN L 2008-10-16 US disclosed
US-7385066-B2 Thiophene sulfoximines, compositions thereof, and methods of treating complement-mediated diseases and conditions JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-10 US disclosed
EP-1863785-A1 NOVEL THIOPHENE SULFOXIMINES FOR TREATING CMPLEMENT-MEDIATED DESEASES AND CONDITIONS JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-12 EP disclosed
EP-1786813-A2 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON, INC. (US) 2007-05-23 EP disclosed
US-20070066667-A1 Novel thiophene sulfoximines, compositions thereof, and methods treating complement-mediated diseases and conditions JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-22 US disclosed
WO-2006101860-A1 NOVEL THIOPHENE SULFOXIMINES FOR TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-28 WO disclosed
US-20060100218-A1 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PLEXXIKON, INC. 2006-05-11 US disclosed
WO-2006026754-A9 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON INC (US) 2006-04-20 WO disclosed
WO-2006026754-A2 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON, INC. (US) 2006-03-09 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 (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-20060100218-A1 Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline PDE4B, PDE4A, PDE4C KMT2A 1169/4885MEN1 3491/4885MAP4K4 1631/4885
US-20080255108-A1 NOVEL THIOPHENE SULFOXIMINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS C5, C1R, C1QBP KMT2A 3595/4885MEN1 2106/4885MAP4K4 2150/4885
US-20070066667-A1 Novel thiophene sulfoximines, compositions thereof, and methods treating complement-mediated diseases and conditions C5, C1QBP, C1R KMT2A 3547/4885MEN1 2090/4885MAP4K4 1803/4885

“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.