SCHEMBL1013610

SCHEMBL1013610

CS(=O)(=O)c1cc(CO)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 2/20 0.44
PTGES2 Q9H7Z7 2/20 0.42
GLA P06280 1/20 0.40
LMNA P02545 1/20 0.39
CCR2 P41597 1/20 0.39
CMA1 P23946 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL2760659 0.86 GSTO1 (0.44) GSTO1GLALMNACCR2CA12
SCHEMBL6196958 0.85 ADRA1D (0.47) PTGES2CCR2CMA1PTGS2CA12
SCHEMBL29707969 0.83 PTGES2 (0.43) GSTO1PTGES2LMNACA12CA1
SCHEMBL15881385 0.83 PTGES2 (0.43) GSTO1PTGES2LMNACA12CA1
SCHEMBL1015882 0.81 GSTO1 (0.44) GSTO1GLALMNACCR2ALDH1A1
SCHEMBL939720 0.81 PTGES2 (0.55) PTGES2CA12CA1CA2CA4
Hydrochloric Acid SCHEMBL28301073 0.81 PTGES2 (0.42) GSTO1PTGES2LMNACA12CA1
SCHEMBL48740 0.81 GSTO1 (0.41) GSTO1GLALMNACCR2CYP3A4
SCHEMBL19277188 0.81 GSTO1 (0.68) GSTO1LMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL2760682 0.80 GSTO1 (0.43) GSTO1GLALMNACCR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200207769-A1 DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2020-07-02 US disclosed
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHE INC. (US) 2020-04-28 US disclosed
CN-104364239-B Diaza spiro cycloalkane and azaspiro alkane 霍夫曼-拉罗奇有限公司 2017-08-25 CN disclosed
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2017-02-02 US disclosed
EP-2861566-B1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN LA ROCHE (CH) 2016-12-21 EP disclosed
US-9493486-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHES INC. (US) 2016-11-15 US disclosed
EP-2861566-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE F. Hoffmann-La Roche AG (CH) 2015-04-22 EP disclosed
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2015-04-09 US disclosed
EP-2271624-B9 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-12 EP disclosed
EP-2271624-B1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-05-21 EP disclosed
US-20110124876-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
US-20110039846-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-17 US disclosed
US-20110034464-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 US disclosed
EP-2271624-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-12 EP disclosed
US-20090270393-A1 Iminopyridine Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
WO-2009131245-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 WO disclosed
EP-1091933-B1 SUBSTITUTED BETA-DIKETONES AND THEIR USE ORION CORP (FI) 2003-11-26 EP disclosed
EP-1091933-A1 SUBSTITUTED $g(b)-DIKETONES AND THEIR USE ORION CORPORATION (FI) 2001-04-18 EP disclosed
US-6201027-B1 NONSTEROIDAL ANTIINFLAMMATORY DRUG FOR PROPHYLAXIS AND TREATMENT OF RESPIRATORY SYSTEM DISORDERS, I.E. ASTHMA, IN STEROID-RESISTANT MAMMALS ORION CORPORATION (FI) 2001-03-13 US disclosed
WO-2000001667-A1 SUBSTITUTED β-DIKETONES AND THEIR USE ORION CORPORATION (FI) 2000-01-13 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 (8 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-20200207769-A1 DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE ENPP2, DAPK1, DAPK2 GSTO1 1262/4885PTGES2 4720/4885GLA 162/4885
US-20110034464-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 GSTO1 3565/4885PTGES2 1359/4885GLA 3458/4885
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE ENPP2, DAPK1, DAPK2 GSTO1 1814/4885PTGES2 4781/4885GLA 213/4885
US-20110124876-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 GSTO1 3565/4885PTGES2 1359/4885GLA 3458/4885
US-20110039846-A1 IMINOPYRIDINE DERIVATIVES AND USE THEREOF ADRA1D, ADRB1, ADRB2 GSTO1 3565/4885PTGES2 1359/4885GLA 3458/4885
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane ENPP2, DAPK1, DAPK2 GSTO1 1262/4885PTGES2 4720/4885GLA 162/4885
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE DAPK2, DAPK1, IDH3A GSTO1 1931/4885PTGES2 3981/4885GLA 2040/4885
US-20090270393-A1 Iminopyridine Derivatives and Use Thereof ADRA1D, ADRB1, ADRB2 GSTO1 3565/4885PTGES2 1359/4885GLA 3458/4885

“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.