SCHEMBL879574

SCHEMBL879574

COC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.56
CYP4F2 P78329 2/20 0.55
CYP4A11 Q02928 2/20 0.55
HIF1A Q16665 1/20 0.50
GLS O94925 3/20 0.49
SLC7A5 Q01650 2/20 0.49
BRD4 O60885 1/20 0.48
MRGPRX4 Q96LA9 2/20 0.48
NR1H4 Q96RI1 1/20 0.47
MMP13 P45452 1/20 0.47
TSHR P16473 1/20 0.46
FOLH1 Q04609 1/20 0.46
KDM4A O75164 1/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
NAMPT P43490 1/20 0.46

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
SCHEMBL3415738 0.92 CHRM3 (0.51) LOXL2CYP4F2CYP4A11HIF1AGLS
SCHEMBL27945718 0.89 GLS (0.47) LOXL2CYP4F2CYP4A11GLSSLC7A5
SCHEMBL20304215 0.87 MEN1 (0.50) LOXL2CYP4F2CYP4A11HIF1ASLC7A5
SCHEMBL184425 0.87 NR1H4 (0.61) GLSSLC7A5BRD4NR1H4MMP13
SCHEMBL13135999 0.87 GLS (0.50) GLSSLC7A5BRD4NR1H4MMP13
SCHEMBL6110971 0.87 GLS (0.46) LOXL2CYP4F2CYP4A11GLSSLC7A5
SCHEMBL31539425 0.86 CYP4F2 (0.59) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL2996602 0.86 CYP4F2 (0.59) LOXL2CYP4F2CYP4A11SLC7A5MRGPRX4
SCHEMBL25380988 0.86 LOXL2 (0.48) LOXL2CYP4F2CYP4A11HIF1AGLS
SCHEMBL31044413 0.86 GLS (0.49) GLSSLC7A5BRD4NR1H4MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116023430-A 2- (2- (2-benzoylamino) acetamide) benzoic acid derivative and preparation method and application thereof 中国药科大学 2023-04-28 CN disclosed
WO-2017068089-A2 NOVEL FERROPORTIN INHIBITORS VIFOR (INTERNATIONAL) AG (CH) 2017-04-27 WO disclosed
EP-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 EP disclosed
EP-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 EP disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 US disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 US disclosed
EP-2695881-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-27 EP disclosed
EP-2695881-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-27 EP disclosed
EP-3002278-A1 GUANIDINE COMPOUND Astellas Pharma Inc. (JP) 2016-04-06 EP disclosed
EP-3002278-A1 GUANIDINE COMPOUND Astellas Pharma Inc. (JP) 2016-04-06 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
US-5578629-A ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1996-11-26 US disclosed
WO-1996030015-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO disclosed
US-5534537-A Prodrugs of inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1996-07-09 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 (2 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 LOXL2 2044/4885CYP4F2 231/4885CYP4A11 1281/4885
US-20030232808-A1 Sulfonyl derivatives SULT1E1, SULT2A1, SULT1A1 LOXL2 957/4885CYP4F2 949/4885CYP4A11 1574/4885

“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.