SCHEMBL2245980

SCHEMBL2245980

CC(C)C[C@H](C(=O)N1CCN(c2ccc3ncccc3c2)C[C@H]1C)[C@H](O)C(=O)NO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.43
▸ FCER2 P06734 1/20 0.41
▸ ADAM17 P78536 2/20 0.41
▸ MMP2 P08253 4/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ MMP1 P03956 2/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ ITGB2 P05107 2/20 0.36
▸ ICAM1 P05362 2/20 0.36
▸ ITGAL P20701 2/20 0.36
▸ ROCK2 O75116 1/20 0.36

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
SCHEMBL2247098 0.89 CHRM4 (0.50) FCER2MMP2MMP13MMP1CHRM4
SCHEMBL11988509 0.83 MMP2 (0.46) MMP2MMP1CHRM4MMP8CHRM1
SCHEMBL2250425 0.83 MMP2 (0.46) MMP2MMP1CHRM4MMP8CHRM1
SCHEMBL8271942 0.82 MMP2 (0.44) MMP2MMP1CHRM4MMP8CHRM1
SCHEMBL8272254 0.82 FAAH (0.41) MMP2MMP13MMP1MMP8HTR1A
SCHEMBL2245958 0.82 FAAH (0.41) MMP2MMP13MMP1MMP8HTR1A
SCHEMBL2247655 0.82 GRM1 (0.51) MMP2MMP1CHRM4MMP8ROCK2
SCHEMBL2247722 0.82 GRM1 (0.51) MMP2MMP1CHRM4MMP8ROCK2
SCHEMBL2247394 0.82 MMP1 (0.43) ACACBMMP2MMP1MMP8LTA4H
SCHEMBL2243596 0.82 GRM1 (0.51) MMP2MMP1CHRM4MMP8ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 — — US claimed
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 claimed
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 — — EP claimed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 — — US claimed
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
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 — — EP 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 ACACB 706/4885FCER2 2397/4885ADAM17 2570/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD ACACB 687/4885FCER2 2294/4885ADAM17 2593/4885

“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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