SCHEMBL4397386

SCHEMBL4397386

COc1cc(O)c(C(=O)O)c(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 4/20 0.58
PTGS2 P35354 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
MAPT P10636 4/20 0.47
CYP3A4 P08684 3/20 0.47
KDM4E B2RXH2 4/20 0.46
HPGD P15428 4/20 0.46
PKM P14618 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 2/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.46
ABL1 P00519 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL29612139 0.85 CYP3A4 (0.58) TPMTMAPTCYP3A4KDM4EHPGD
SCHEMBL735664 0.85 CYP3A4 (0.58) TPMTMAPTCYP3A4KDM4EHPGD
SCHEMBL1590793 0.83 TPMT (0.56) TPMTPTGS2CA12CA1CA2
SCHEMBL8911580 0.81 PKM (0.58) TPMTCA12CA1CA2CA7
SCHEMBL677571 0.81 HPGD (0.54) TPMTCA12CA1CA2CA7
SCHEMBL4220772 0.80 FFAR1 (0.52) TPMTMAPTCYP3A4KDM4EHTT
SCHEMBL27613224 0.80 HMGCR (0.57) TPMTMAPTCYP3A4KDM4EHPGD
SCHEMBL9774171 0.79 TPMT (0.55) TPMTPTGS2CA12CA1CA2
SCHEMBL1807423 0.79 KDM4E (0.49) TPMTCA12CA1CA2CA7
SCHEMBL30803073 0.79 PTGS2 (0.55) TPMTPTGS2CA12CA1CA2

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 5 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

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 TPMT 319/4885PTGS2 87/4885CA12 4696/4885
US-20060084667-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them ADM2, NUP155, ABCG2 TPMT 194/4885PTGS2 1325/4885CA12 4068/4885

“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.