SCHEMBL3974013

SCHEMBL3974013

Nc1ccc(CC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.48
ERBB2 P04626 7/20 0.48
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
ALKBH2 Q6NS38 1/20 0.44
ALKBH3 Q96Q83 1/20 0.44
FTO Q9C0B1 1/20 0.44
MMP7 P09237 1/20 0.44
KAT6A Q92794 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
SLC22A12 Q96S37 2/20 0.43
CNR2 P34972 2/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3974012 0.88 EGFR (0.46) EGFRERBB2MEN1ALDH1A1KMT2A
SCHEMBL3973365 0.83 EGFR (0.55) EGFRERBB2MEN1KMT2AKAT6A
SCHEMBL3969838 0.80 CA1 (0.50) EGFRERBB2ALDH1A1CNR2
SCHEMBL3975407 0.76 EGFR (0.73) EGFRERBB2MEN1ALDH1A1KMT2A
SCHEMBL25436732 0.74 MEN1 (0.60) MEN1ALDH1A1KMT2AALKBH2ALKBH3
SCHEMBL29118842 0.74 SLC22A12 (0.68) SLC22A12
SCHEMBL422146 0.72 SLC22A12 (0.58) MEN1ALDH1A1KMT2AKAT6ASLC22A12
SCHEMBL10918400 0.71 SLC22A12 (0.54) MEN1ALDH1A1KMT2AALKBH2ALKBH3
SCHEMBL9212071 0.71 MEN1 (0.52) MEN1ALDH1A1KMT2AALKBH2ALKBH3
SCHEMBL30591430 0.71 MEN1 (0.52) MEN1ALDH1A1KMT2AALKBH2ALKBH3

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-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-7417068-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2008-08-26 US disclosed
US-20050124676-A1 EP4 receptor antagonists ASTERAND UK ACQUISITION LIMITED (GB) 2005-06-09 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-20050124676-A1 EP4 receptor antagonists PTGER4, PTGER3, NR4A3 EGFR 433/4885ERBB2 854/4885MEN1 1691/4885
US-20080306117-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER3, NR4A3 EGFR 433/4885ERBB2 854/4885MEN1 1691/4885

“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.