SCHEMBL13716680

SCHEMBL13716680

COc1ccc(-c2cc(C(=O)Nc3ccc(CC(=O)NS(=O)(=O)c4ccccc4)cc3)c(C(F)(F)F)o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.58
ERBB2 P04626 5/20 0.58
MAPT P10636 4/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
KDM4E B2RXH2 6/20 0.49
TDP1 Q9NUW8 3/20 0.48
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 2/20 0.45
PTGER4 P35408 1/20 0.45
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL13716581 0.89 ALDH1A1 (0.67) EGFRERBB2MAPTALDH1A1HPGD
SCHEMBL3972861 0.85 MAPT (0.57) MAPTALDH1A1HPGDKDM4ETDP1
SCHEMBL13716577 0.80 ALDH1A1 (0.59) EGFRERBB2MAPTALDH1A1HPGD
SCHEMBL3971257 0.80 MAPT (0.56) MAPTALDH1A1HPGDKDM4ETDP1
SCHEMBL5984247 0.74 PTGER4 (0.47) MAPTALDH1A1HPGDKDM4ETDP1
SCHEMBL14930776 0.74 P2RX1 (0.61) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL5987767 0.74 PTGER4 (0.47) EGFRERBB2MAPTALDH1A1HPGD
SCHEMBL3971525 0.74 DGAT1 (0.54) MAPTALDH1A1HPGDKDM4ETDP1
SCHEMBL12991398 0.73 PTGER4 (0.67) MAPTALDH1A1HPGDLMNAPTGER4
SCHEMBL3971437 0.73 PTGER4 (0.46) EGFRERBB2MAPTALDH1A1HPGD

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
US-7569602-B2 Furan derivatives as EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-08-04 US disclosed
US-7569602-B2 Furan derivatives as EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-08-04 US disclosed
EP-1673360-B1 FURAN DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2008-12-17 EP disclosed
US-20080306117-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2008-12-11 US disclosed
US-20080306117-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2008-12-11 US disclosed
US-7417068-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2008-08-26 US disclosed
US-7417068-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2008-08-26 US disclosed
US-20070135503-A1 Furan derivatives as ep4 receptor antagonists ASTERAND UK ACQUISITION LIMITED (GB) 2007-06-14 US disclosed
US-20070135503-A1 Furan derivatives as ep4 receptor antagonists ASTERAND UK ACQUISITION LIMITED (GB) 2007-06-14 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-20080306117-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER3, NR4A3 EGFR 433/4885ERBB2 854/4885MAPT 4666/4885
US-20070135503-A1 Furan derivatives as ep4 receptor antagonists PTGER4, PTGER3, NR4A3 EGFR 564/4885ERBB2 1166/4885MAPT 4720/4885

“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.