SCHEMBL3144746

SCHEMBL3144746

O=C(O)[C@H](Cc1ccc(O)cc1)Nc1nc2ccccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
ITGB1 P05556 1/20 0.49
ITGA5 P08648 1/20 0.49
NCS1 P62166 1/20 0.48
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
GAA P10253 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 1/20 0.47
ITGA4 P13612 1/20 0.47
MAPT P10636 4/20 0.46
HPGD P15428 1/20 0.46
SCD O00767 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
Hydrochloric Acid SCHEMBL9009337 0.91 CSNK1D (0.56) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL1595124 0.87 ELANE (0.57) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL6286907 0.83 ELANE (0.46) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL4836084 0.82 ITGB1 (0.61) ITGB1ITGA5ITGA4
SCHEMBL4458533 0.81 NPC1 (0.59) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL5827952 0.81 CSNK1D (0.56) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL13408929 0.81 CSNK1D (0.56) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL4457424 0.80 CSNK1D (0.54) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL4457418 0.80 CSNK1D (0.54) CSNK1DSMN1; SMN2NFKB1NFKB2RELA
SCHEMBL9531007 0.79 NPC1 (0.59) CSNK1DSMN1; SMN2NFKB1NFKB2RELA

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
EP-1833805-B1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES ADAMED SP ZOO (PL) 2010-02-10 EP disclosed
US-7312338-B2 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2007-12-25 US disclosed
US-20070219259-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES ADAMED SP. Z O.O. (PL) 2007-09-20 US disclosed
EP-1833805-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES Adamed SP. Z O.O. (PL) 2007-09-19 EP disclosed
US-20070088061-A1 New 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2007-04-19 US disclosed
WO-2006067086-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES ADAMED SP. Z O.O. (PL) 2006-06-29 WO disclosed
EP-1282621-B1 VITRONECTIN RECEPTOR ANTAGONISTS AVENTIS PHARMA SA (FR) 2005-09-07 EP disclosed
EP-1282621-A1 VITRONECTIN RECEPTOR ANTAGONISTS Aventis Pharma S.A. (FR) 2003-02-12 EP disclosed
WO-2001085729-A1 NOVEL VITRONECTIN RECEPTOR ANTAGONISTS AVENTIS PHARMA S.A. (FR) 2001-11-15 WO 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-20070088061-A1 New 3-phenylpropionic acid derivatives PPARA, PPARD, PPARG CSNK1D 581/4885SMN1; SMN2 3641/4885NFKB1 2799/4885
US-20070219259-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES PPARA, PPARD, PPARG CSNK1D 541/4885SMN1; SMN2 3526/4885NFKB1 2830/4885

“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.