SCHEMBL5542830

SCHEMBL5542830

COC(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.54
▸ DRD2 P14416 2/20 0.47
▸ ACACB O00763 8/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ACACA Q13085 4/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ EPHX1 P07099 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41

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
SCHEMBL9885074 1.00 KMT2A (0.54) KMT2ADRD2ACACBMEN1ALDH1A1
SCHEMBL4377073 0.88 KMT2A (0.56) KMT2ADRD2ACACBACACAEPHX1
SCHEMBL190838 0.88 KMT2A (0.56) KMT2ADRD2ACACBACACAEPHX1
SCHEMBL3816616 0.88 KMT2A (0.56) KMT2ADRD2ACACBACACAEPHX1
SCHEMBL3942686 0.88 KMT2A (0.56) KMT2ADRD2ACACBACACAEPHX1
SCHEMBL14979024 0.86 KMT2A (0.56) KMT2ADRD2ACACBACACASMN1; SMN2
SCHEMBL353652 0.86 KMT2A (0.71) KMT2ADRD2ACACBACACASMN1; SMN2
SCHEMBL353639 0.86 KMT2A (0.71) KMT2ADRD2ACACBACACASMN1; SMN2
SCHEMBL10163711 0.86 KMT2A (0.56) KMT2ADRD2ACACBACACASMN1; SMN2
SCHEMBL5006161 0.86 KMT2A (0.71) KMT2ADRD2ACACBACACASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022212902-A1 MODULATORS OF INTEGRATED STRESS RESPONSE PATHWAY ALTOS LABS, INC. (US) 2022-10-06 — — WO disclosed
WO-2020135765-A1 CXCR4 INHIBITOR AND APPLICATION THEREOF 珠海诺贝尔国际生物医药研究院有限公司 2020-07-02 — — WO disclosed
US-10562977-B2 Ligand-cytotoxic drug conjugate, preparation method thereof, and uses thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2020-02-18 — — US disclosed
US-10329263-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-25 — — US disclosed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 — — US disclosed
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 — — US disclosed
US-20110245223-A1 HETEROCYCLIC COMPOUNDS JAPAN TOBACCO INC. (JP) 2011-10-06 — — US disclosed
US-20100010219-A1 METHOD FOR PRODUCING PYRROLIDINE COMPOUND JAPAN TOBACCO INC. (JP) 2010-01-14 — — US disclosed
US-7589197-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY (TW) 2009-09-15 — — US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 — — US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 — — US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 — — US disclosed
EP-1031563-B1 SULFONYL DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-12-28 — — EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 — — EP disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 — — US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 — — US disclosed
US-20030232808-A1 Sulfonyl derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-12-18 — — US disclosed
US-6525042-B1 Inhibits an activated coagulation factor FXa; anticoagulant, antithrombotic DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-02-25 — — US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 — — EP disclosed
EP-1031563-A1 SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-30 — — EP 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 (9 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S KMT2A 3061/4885DRD2 214/4885ACACB 3946/4885
US-10329263-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 KMT2A 2546/4885DRD2 3096/4885ACACB 2125/4885
US-20110245223-A1 HETEROCYCLIC COMPOUNDS HSD11B1, HSD11B2, CYP11B1 KMT2A 1820/4885DRD2 241/4885ACACB 2490/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 KMT2A 2905/4885DRD2 3269/4885ACACB 2138/4885
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 KMT2A 923/4885DRD2 797/4885ACACB 1694/4885
US-20100010219-A1 METHOD FOR PRODUCING PYRROLIDINE COMPOUND HSD11B1, HSD11B2, HSD17B11 KMT2A 3033/4885DRD2 1276/4885ACACB 1551/4885
US-20030232808-A1 Sulfonyl derivatives SULT1E1, SULT2A1, SULT1A1 KMT2A 479/4885DRD2 855/4885ACACB 3919/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 KMT2A 2546/4885DRD2 3096/4885ACACB 2125/4885
US-10562977-B2 Ligand-cytotoxic drug conjugate, preparation method thereof, and uses thereof LPXN, ADGRF1, LHCGR KMT2A 2850/4885DRD2 670/4885ACACB 2583/4885

“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.

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