SCHEMBL1723740

SCHEMBL1723740

Cc1ccc(S(=O)(=O)n2cc(B(O)O)c3ccccc32)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.68
UBE2N P61088 1/20 0.68
L3MBTL1 Q9Y468 2/20 0.63
HTR6 P50406 7/20 0.59
ALOX5 P09917 4/20 0.58
ALK Q9UM73 1/20 0.55
PTGS2 P35354 1/20 0.53
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KLK7 P49862 1/20 0.51
CYP19A1 P11511 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
AKR1C3 P42330 1/20 0.49
AKR1C1 Q04828 1/20 0.49
POLB P06746 1/20 0.49
ALDH3A1 P30838 1/20 0.49
HTT P42858 1/20 0.49
NOD1 Q9Y239 1/20 0.49

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
SCHEMBL29402217 1.00 KDM4E (0.68) KDM4EUBE2NL3MBTL1HTR6ALOX5
SCHEMBL819444 0.90 LMNA (0.62) KDM4EUBE2NL3MBTL1HTR6LMNA
SCHEMBL29737165 0.90 LMNA (0.62) KDM4EUBE2NL3MBTL1HTR6LMNA
SCHEMBL17394583 0.87 HTR6 (0.57) KDM4EUBE2NL3MBTL1HTR6LMNA
SCHEMBL4014002 0.87 HTR6 (0.60) KDM4EUBE2NL3MBTL1HTR6ALOX5
SCHEMBL15757279 0.85 HTR6 (0.59) KDM4EUBE2NL3MBTL1HTR6LMNA
SCHEMBL4012220 0.85 HTR6 (0.61) KDM4EUBE2NHTR6LMNASMN1; SMN2
SCHEMBL3615171 0.82 HTR6 (0.78) KDM4EUBE2NL3MBTL1HTR6ALOX5
SCHEMBL31092832 0.82 HTR6 (0.58) KDM4EUBE2NL3MBTL1HTR6ALOX5
SCHEMBL14637084 0.81 PTGDR2 (0.49) KDM4EUBE2NL3MBTL1HTR6ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108774122-B Method for synthesizing diaryl ketone compound by carbonylation taking chloroform as carbonyl source without participation of transition metal 南京师范大学 2021-06-11 CN disclosed
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2020-04-28 US disclosed
US-10174029-B2 Pyrimidine-2,4-diamine derivatives for treatment of cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2019-01-08 US disclosed
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) 2019-01-03 US disclosed
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2018-09-04 US disclosed
US-20180170929-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2018-06-21 US disclosed
US-20180170929-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2018-06-21 US disclosed
US-9944640-B2 Pyrimidine-2,4-diamine derivatives for treatment of cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2018-04-17 US disclosed
US-9944640-B2 Pyrimidine-2,4-diamine derivatives for treatment of cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2018-04-17 US disclosed
US-20170217961-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-08-03 US disclosed
EP-1147107-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2002-05-22 EP disclosed
EP-1147107-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-10-24 EP disclosed
US-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed
EP-0888339-A4 SYNTHESIS OF INDOLYLMALEIMIDES LILLY CO ELI (US) 2001-02-28 EP disclosed
WO-2000043393-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-07-27 WO disclosed
US-6037475-A REACTING OPTIONALLY SUBSTITUTED, N-PROTECTED INDOL-3-YL-ACETAMIDE WITH AN ALKYL OXALATE AND A STRONG ORGANIC BASE IN A POLAR APROTIC SOLVENT FORMING OPTIONALLY SUBSTITUTED 4-(INDOL-3-YL)-3-HYDROXY PYRROLE-2,5-DIONE ELI LILLY & COMPANY (US) 2000-03-14 US disclosed
US-5919946-A REACTING AN ACTIVATED MALEIMIDE WITH AN ORGANOMETALLIC-3-INDOLE IN PRESENCE OF A PALLADIUM TRANSITION METAL CATALYST ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
US-5859261-A PROTEIN KINASE INHIBITORS ELI LILLY AND COMPANY (US) 1999-01-12 US disclosed
EP-0888339-A1 SYNTHESIS OF INDOLYLMALEIMIDES ELI LILLY AND COMPANY (US) 1999-01-07 EP disclosed
WO-1997034890-A1 SYNTHESIS OF INDOLYLMALEIMIDES ELI LILLY AND COMPANY (US) 1997-09-25 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 (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-20180170929-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER DPYD, MTHFD1, TYMS KDM4E 2454/4885UBE2N 4676/4885L3MBTL1 2508/4885
US-20170217961-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER DPYD, MTHFD1, TYMS KDM4E 2454/4885UBE2N 4676/4885L3MBTL1 2508/4885
US-10174029-B2 Pyrimidine-2,4-diamine derivatives for treatment of cancer DPYD, MTHFD1, TYMS KDM4E 2454/4885UBE2N 4676/4885L3MBTL1 2508/4885
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT KDM4E 3971/4885UBE2N 4219/4885L3MBTL1 3507/4885
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT KDM4E 3971/4885UBE2N 4219/4885L3MBTL1 3507/4885
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT KDM4E 3971/4885UBE2N 4219/4885L3MBTL1 3507/4885

“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.