Sugi Predict

Sugi Predict / Compounds / SCHEMBL2250334

SCHEMBL2250334

SCHEMBL2250334

CCOc1ccc(CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)cn3)CC2)[C@@H]2OC(C)(C)OC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ME2 P23368 4/20 0.40
▸ ME1 P48163 4/20 0.40
▸ ME3 Q16798 4/20 0.40
▸ TACR3 P29371 9/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ SSTR3 P32745 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ HTR2A P28223 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
SCHEMBL2247475 0.90 LMNA (0.42) ME2ME1ME3KMT2ALMNA
SCHEMBL2245954 0.90 PANK3 (0.44) ME2ME1ME3TACR3SSTR3
SCHEMBL2252065 0.90 SMN1; SMN2 (0.47) ME2ME1ME3KMT2ALMNA
SCHEMBL2247586 0.87 TGM2 (0.37) ME2ME1ME3KMT2ALMNA
SCHEMBL2247253 0.87 HRH3 (0.40) ME2ME1ME3LMNAKDM4E
SCHEMBL2247755 0.87 ADORA2A (0.35) ME2ME1ME3KMT2ALMNA
SCHEMBL2248042 0.85 MAPT (0.38) KMT2ALMNAKDM4EMEN1MAPT
SCHEMBL2551732 0.85 MC4R (0.36) KMT2ALMNAMEN1MAPTTSHR
SCHEMBL2248065 0.85 MC4R (0.36) KMT2ALMNAMEN1MAPTTSHR
SCHEMBL2249039 0.85 TGM2 (0.40) ME2ME1ME3LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 — — US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 — — US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 — — US disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 — — 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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD ME2 235/4885ME1 2306/4885ME3 965/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD ME2 227/4885ME1 2124/4885ME3 908/4885

“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.