SCHEMBL5696345

SCHEMBL5696345

CC(C)(C)c1ccc(C(=O)NCCO)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.68
NPC1 O15118 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
MAPK1 P28482 2/20 0.68
TP53 P04637 1/20 0.68
HPGD P15428 1/20 0.68
NFKB1 P19838 1/20 0.68
NFKB2 Q00653 1/20 0.68
RELA Q04206 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
ESRRG P62508 4/20 0.62
ESRRB O95718 1/20 0.62
EPHX2 P34913 4/20 0.61
LMNA P02545 2/20 0.60
ALDH1A1 P00352 2/20 0.60
MAPT P10636 2/20 0.60
GAA P10253 1/20 0.60
HTT P42858 1/20 0.60
POLB P06746 1/20 0.59
CASP3 P42574 1/20 0.59

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
SCHEMBL620074 0.86 POLB (0.66) MAPK1HPGDNFKB1LMNAALDH1A1
SCHEMBL9490980 0.85 SMN1; SMN2 (0.73) RAB9ANPC1SMN1; SMN2MAPK1TP53
SCHEMBL14615882 0.85 RAB9A (0.68) RAB9ANPC1SMN1; SMN2MAPK1TP53
SCHEMBL10606216 0.85 EPHX2 (0.65) RAB9ANPC1SMN1; SMN2MAPK1TP53
SCHEMBL13762059 0.84 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPK1TP53
SCHEMBL25754119 0.84 MMP13 (0.55) RAB9ANPC1SMN1; SMN2MAPK1TP53
SCHEMBL13762062 0.84 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPK1TP53
SCHEMBL12243059 0.84 MLYCD (0.69) RAB9ANPC1SMN1; SMN2MAPK1TP53
SCHEMBL10795254 0.84 MEN1 (0.57) RAB9ANPC1SMN1; SMN2MAPK1TP53
SCHEMBL12139852 0.84 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315494-B2 Alkyl-amide-substituted pyridyl compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-19 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-20150307483-A1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2015-10-29 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
EP-1208175-B1 MIXTURES OF beta-HYDROXYALKYL AMIDES AND THEIR USE AS CROSS-LINKING AGENTS FOR THE PREPARATION OF POWDER PAINTS SIR IND SPA (IT) 2006-05-17 EP disclosed
US-6767479-B1 THERMOSETTING WITHOUT USE OF HIGH QUANTITIES OF DEGASSING ADDITIVES; MAINTAINING GOOD MECHANICAL AND AESTHETIC CHARACTERISTICS SIR INDUSTRIALE S.P.A. (IT) 2004-07-27 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-20150307483-A1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, TYK2, IFNAR1 RAB9A 2089/4885NPC1 4872/4885SMN1; SMN2 3661/4885
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT RAB9A 3216/4885NPC1 985/4885SMN1; SMN2 3979/4885

“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.