SCHEMBL4397391

SCHEMBL4397391

CC(C)(C)c1cc(SCC(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
SIRT5 Q9NXA8 1/20 0.53
VCAM1 P19320 9/20 0.50
GLRA3 O75311 1/20 0.47
GLRB P48167 1/20 0.47
FFAR1 O14842 1/20 0.46
CA2 P00918 2/20 0.45
CA1 P00915 1/20 0.45
GPR55 Q9Y2T6 1/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
TYR P14679 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
GABBR2 O75899 1/20 0.42

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
SCHEMBL9119059 0.86 MAPT (0.53) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9163368 0.85 HPN (0.46) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL10676509 0.84 HPN (0.45) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9411884 0.84 ALDH1A1 (0.56) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9345990 0.83 VCAM1 (0.44) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL8309788 0.83 VCAM1 (0.55) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9327983 0.83 HPN (0.50) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9550709 0.83 HPN (0.50) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL10405742 0.82 ALOX15 (0.53) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL8309680 0.81 HPN (0.49) HPNMAPTALOX15SIRT5VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576241-B2 Derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2009-08-18 US disclosed
US-7473779-B2 Derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-01-06 US disclosed
US-20060084667-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2006-04-20 US disclosed
US-20050261269-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D' APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) 2005-11-24 US disclosed
US-6653312-B1 Such as 3-((3-((amino(2-thienyl)methylideneamino)-benzyl)-amino)-N-(1- methyl-2,3-dihydro-1H-indol-5-yl)propanamide; NO-synthase enzyme inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-11-25 US disclosed
EP-0903346-A1 SYDNONE IMINE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-03-24 EP 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-20050261269-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS2, NOS1, NOS3 HPN 1277/4885MAPT 2048/4885ALOX15 278/4885
US-20060084667-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them ADM2, NUP155, ABCG2 HPN 1459/4885MAPT 1719/4885ALOX15 2526/4885

“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.