SCHEMBL2901065

SCHEMBL2901065

COC(=O)CC(Cc1ccccc1)CC(C1=COCO1)C1CCN(C(=O)c2cccc(NC3=NCCCC3)c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 1/20 0.33
KMT2A Q03164 3/20 0.33
NTRK1 P04629 3/20 0.32
NTRK3 Q16288 1/20 0.32
NTRK2 Q16620 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
GPR52 Q9Y2T5 1/20 0.31
ITGB3 P05106 2/20 0.31
ITGAV P06756 2/20 0.31
ITGA2B P08514 2/20 0.31
ITGB1 P05556 1/20 0.31
ITGB5 P18084 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL2907615 0.85 ITGB3 (0.38) KMT2ANTRK1GPR52ITGB3ITGAV
SCHEMBL2927343 0.73 ITGB3 (0.39) KMT2AGPR52ITGB3ITGAVITGA2B
SCHEMBL2906935 0.67 FAAH (0.38) NTRK1NTRK3NTRK2ITGB3ITGAV
SCHEMBL5884516 0.62 MTNR1A (0.41) KMT2ATSHRALDH1A1MAPT
SCHEMBL7372830 0.59 ITGB3 (0.56) KMT2AALDH1A1ITGB3ITGAVITGA2B
SCHEMBL30536907 0.59 ITGB3 (0.56) KMT2AALDH1A1ITGB3ITGAVITGA2B
SCHEMBL7073328 0.58 ALDH1A1 (0.40) KMT2AALDH1A1
SCHEMBL4391737 0.56 ESR1 (0.43) KMT2AALDH1A1
SCHEMBL24398131 0.55 FAAH (0.60) KMT2AALDH1A1
SCHEMBL3379832 0.55 PARP1 (0.53) KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217569-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP claimed
US-20090124804-A1 Enantioselective process for preparing a substituted alkanoic acid JANSSEN PHARMACEUTICA NV (BE) 2009-05-14 US claimed
WO-2009058314-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-07 WO claimed
EP-2217569-B1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA NV (BE) 2014-04-16 EP disclosed
US-8680278-B2 Enantioselective process for preparing a substituted alkanoic acid JANSSEN PHARMACEUTICA NV (BE) 2014-03-25 US disclosed
EP-2217569-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP disclosed
US-20090124804-A1 Enantioselective process for preparing a substituted alkanoic acid JANSSEN PHARMACEUTICA NV (BE) 2009-05-14 US disclosed
WO-2009058314-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-07 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 (1 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-20090124804-A1 Enantioselective process for preparing a substituted alkanoic acid ITGA5, ITGA1, ITGB5 YAP1 3210/4885KMT2A 2739/4885NTRK1 589/4885

“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.