Sugi Predict

Sugi Predict / Compounds / SCHEMBL2247391

SCHEMBL2247391

SCHEMBL2247391

CC1(C)OC(=O)[C@H]([C@@H](CCCc2ccc(OC(F)(F)F)cc2)C(=O)N2CCN(c3cccc(Cl)n3)CC2)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 2/20 0.40
▸ TGM2 P21980 1/20 0.36
▸ CYP2C9 P11712 3/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ SSTR3 P32745 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CCR5 P51681 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.32

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
SCHEMBL2247586 0.90 TGM2 (0.37) TGM2CYP2C9SSTR3ALDH1A1KDM4E
SCHEMBL2249039 0.82 TGM2 (0.40) TGM2KDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL2252065 0.78 SMN1; SMN2 (0.47) PANK3CYP2C9KDM4ELMNASMN1; SMN2
SCHEMBL2250334 0.77 ME2 (0.40) PANK3SSTR3KDM4ELMNATSHR
SCHEMBL8292218 0.77 PKM (0.43) ALDH1A1LMNATSHRSMN1; SMN2CYP3A4
SCHEMBL1826682 0.77 PKM (0.43) ALDH1A1LMNATSHRSMN1; SMN2CYP3A4
SCHEMBL2247462 0.77 PPARG (0.38) EPHX2GRM2CTSLCTSSCTSK
SCHEMBL8272997 0.77 PPARG (0.38) EPHX2GRM2CTSLCTSSCTSK
SCHEMBL2248042 0.76 MAPT (0.38) CYP2C9ALDH1A1KDM4ELMNATSHR
SCHEMBL2247475 0.76 LMNA (0.42) CYP2C9KDM4ELMNASMN1; SMN2ACACB

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 PANK3 3763/4885TGM2 1452/4885CYP2C9 782/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD PANK3 3905/4885TGM2 1576/4885CYP2C9 757/4885

“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.