SCHEMBL969077

SCHEMBL969077

CC(C)[C@H](CC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.67
CA2 P00918 2/20 0.67
CA7 P43166 2/20 0.67
CYP2D6 P10635 1/20 0.51
CTSK P43235 10/20 0.49
CTSS P25774 5/20 0.49
CA4 P22748 1/20 0.46
CA9 Q16790 1/20 0.46
KLK5 Q9Y337 2/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL68450 1.00 CA1 (0.67) CA1CA2CA7CYP2D6CTSK
SCHEMBL68451 1.00 CA1 (0.67) CA1CA2CA7CYP2D6CTSK
SCHEMBL4771470 0.88 CA1 (0.61) CA1CA2CA7CYP2D6CTSK
SCHEMBL16970604 0.88 CA1 (0.56) CA1CA2CA7CYP2D6CTSK
SCHEMBL8961360 0.88 CA1 (0.56) CA1CA2CA7CYP2D6CTSK
SCHEMBL272148 0.88 CA1 (0.56) CA1CA2CA7CYP2D6CTSK
SCHEMBL168390 0.86 CA1 (0.54) CA1CA2CA7CYP2D6CTSK
SCHEMBL16970732 0.86 CA1 (0.54) CA1CA2CA7CYP2D6CTSK
SCHEMBL7356326 0.86 CA1 (0.67) CA1CA2CA7CYP2D6CTSK
SCHEMBL14265317 0.85 CA1 (0.53) CA1CA2CA7CYP2D6CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230072397-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-03-09 US disclosed
CN-113825748-A Antimicrobial compounds and methods 库扎环球有限责任公司 2021-12-21 CN disclosed
WO-2019118612-A1 TARGETING COMPOUNDS ZAFGEN, INC. (US) 2019-06-20 WO disclosed
EP-3497098-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME Zafgen, Inc. (US) 2019-06-19 EP disclosed
US-20190169181-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2019-06-06 US disclosed
US-20190169181-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2019-06-06 US disclosed
CN-107935988-A Optionally substituted quinoline compounds 卫材R&D管理有限公司 2018-04-20 CN disclosed
EP-3057948-B1 SELECTIVELY SUBSTITUTED QUINOLINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2018-03-14 EP disclosed
WO-2018031877-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. (US) 2018-02-15 WO disclosed
WO-2018031877-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. (US) 2018-02-15 WO disclosed
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-20090298833-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-12-03 US disclosed
US-7601844-B2 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-13 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
EP-2049486-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2009-04-22 EP disclosed
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 EP disclosed
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide CHRONTECH PHARMA AB (SE) 2008-03-27 US disclosed
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide CHRONTECH PHARMA AB (SE) 2008-03-27 US disclosed
US-20070208056-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
WO-2007092681-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 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-20090298833-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 CA1 1698/4885CA2 1930/4885CA7 3494/4885
US-20080076824-A1 modified glycinamides: Valine-alphahydroxy-glycinamide GALE, ENGASE, UGGT1 CA1 1925/4885CA2 3373/4885CA7 2810/4885
US-20070208056-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 CA1 1698/4885CA2 1930/4885CA7 3494/4885
US-20190169181-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, DNPEP, FOLH1 CA1 937/4885CA2 894/4885CA7 886/4885
US-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 CA1 4451/4885CA2 3115/4885CA7 1928/4885
US-20230072397-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 CA1 4525/4885CA2 2151/4885CA7 1619/4885

“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.