SCHEMBL536163

SCHEMBL536163

COC(=O)c1ccc(C#N)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 7/20 0.51
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA12 O43570 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
XDH P47989 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 3/20 0.45
GAA P10253 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
AR P10275 1/20 0.44

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
SCHEMBL2478176 0.86 CA1 (0.49) CA1CA2CA12CA7CA9
SCHEMBL8148281 0.86 CA1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL28289517 0.83 CA12 (0.54) S1PR3CA1CA2CA12CA7
SCHEMBL13193177 0.83 CA12 (0.54) S1PR3CA1CA2CA12CA7
SCHEMBL1008899 0.83 CA1 (0.49) CA1CA2CA12CA7CA9
SCHEMBL2818982 0.83 KDM4E (0.53) S1PR3CA1CA2CA12CA7
SCHEMBL2427132 0.83 CA1 (0.62) CA1CA2CA12CA7CA9
SCHEMBL105391 0.81 ALDH1A1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL4950780 0.81 KDM4E (0.60) CA1CA2CA12CA7CA9
SCHEMBL2143380 0.81 NOTUM (0.54) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106431969-B A kind of method for preparing 2- methyl -4- formaldoxime yl benzoic acid methyl esters 荆门医药工业技术研究院 2018-07-06 CN claimed
EP-4333985-B1 MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS INC (US) 2025-07-30 EP disclosed
US-20240262814-A1 MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. 2024-08-08 US disclosed
CN-118324614-A Synthesis method of 2-methyl-4-formaldoxime benzoic acid or derivative thereof 珠海保税区丽珠合成制药有限公司 2024-07-12 CN disclosed
EP-4333985-A1 MODULATORS OF TREX1 Constellation Pharmaceuticals, Inc. (US) 2024-03-13 EP disclosed
CN-117561251-A Modulators of TREX1 星座制药公司 2024-02-13 CN disclosed
US-20230359119-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-09 US disclosed
CN-112955448-B Aromatic ring or aromatic heterocyclic compound and preparation method and medical application thereof 中国医药研究开发中心有限公司 2023-02-03 CN disclosed
WO-2022235725-A1 MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. (US) 2022-11-10 WO disclosed
US-20220127258-A1 AROMATIC RING OR HETEROAROMATIC RING COMPOUNDS, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF The National Institutes of Pharmaceutical R&D Co., Ltd. (CN) 2022-04-28 US disclosed
WO-2007132307-A1 CYCLOALKYLAMINO ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER PRODUCTS INC. (US) 2007-11-22 WO disclosed
WO-2007079186-A2 1, 3-OXAZOLIDIN-2-ONE DERIVATIVES USEFUL AS CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-12 WO disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
EP-1781661-A2 VASOPRESSIN V1A ANTAGONISTS Ferring B.V. (NL) 2007-05-09 EP disclosed
WO-2007025009-A2 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 WO disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 WO disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 WO disclosed
US-5607944-A ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-03-04 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-20240262814-A1 MODULATORS OF TREX1 CFTR, SLC10A1, CYP27A1 S1PR3 1638/4885CA1 4609/4885CA2 3783/4885
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS S1PR3 2702/4885CA1 4454/4885CA2 4442/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 S1PR3 2519/4885CA1 350/4885CA2 196/4885
US-20220127258-A1 AROMATIC RING OR HETEROAROMATIC RING COMPOUNDS, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF CYP46A1, NR1H4, CYP7A1 S1PR3 1862/4885CA1 4834/4885CA2 4673/4885

“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.