SCHEMBL4594627

SCHEMBL4594627

Cc1ccc(OCC(=O)O)c(C#N)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.61
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TP53 P04637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.49
XDH P47989 1/20 0.48
FFAR1 O14842 1/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 1/20 0.48
S1PR1 P21453 1/20 0.47
TSHR P16473 1/20 0.45

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
SCHEMBL4235844 0.91 PTGDR2 (0.52) PTGDR2KDM4EFFAR1HPGDTSHR
SCHEMBL14026553 0.84 NPC1 (0.50) PTGDR2NPC1RAB9ATP53HSD17B10
SCHEMBL3951141 0.83 PTGDR2 (0.67) PTGDR2NPC1RAB9AHPGDALDH1A1
SCHEMBL13515795 0.82 NPC1 (0.70) PTGDR2NPC1RAB9ATP53HSD17B10
SCHEMBL13665112 0.81 HSD17B10 (0.51) PTGDR2NPC1RAB9ATP53HSD17B10
SCHEMBL2947402 0.81 PTGDR2 (0.56) PTGDR2NPC1RAB9ATP53HSD17B10
SCHEMBL3499253 0.81 PTGDR2 (0.59) PTGDR2XDHTSHR
SCHEMBL4200563 0.81 ALDH1A1 (0.66) PTGDR2XDHHPGDALDH1A1
SCHEMBL4595546 0.81 PTGDR2 (0.68) PTGDR2HPGDTSHR
SCHEMBL320418 0.80 PTGDR2 (0.66) PTGDR2KDM4EFFAR1TSHR

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-1489078-B1 BENZOFURAN DERIVATIVE MITSUBISHI TANABE PHARMA CORP (JP) 2010-01-06 EP disclosed
US-7605158-B2 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-20 US disclosed
US-7605158-B2 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-20 US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders CELLZOME (UK) LTD. (GB) 2008-10-23 US disclosed
EP-1945646-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Cellzome (UK) Ltd. (GB) 2008-07-23 EP disclosed
WO-2007039467-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLZOME (UK) LTD. (GB) 2007-04-12 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-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders HRH4, HRH3, HRH2 PTGDR2 346/4885NPC1 2616/4885RAB9A 3832/4885
US-20090209511-A1 Benzofuran Derivatives F12, F2, F3 PTGDR2 2108/4885NPC1 3431/4885RAB9A 4600/4885

“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.