SCHEMBL3974012

SCHEMBL3974012

NC(=O)c1ccc(CC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.46
ERBB2 P04626 4/20 0.46
ALKBH2 Q6NS38 1/20 0.45
ALKBH3 Q96Q83 1/20 0.45
FTO Q9C0B1 1/20 0.45
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 1/20 0.43
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MMP7 P09237 1/20 0.42
KAT6A Q92794 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
SLC22A12 Q96S37 2/20 0.41
CNR2 P34972 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKLR P30613 1/20 0.41

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
SCHEMBL3974013 0.88 EGFR (0.48) EGFRERBB2ALKBH2ALKBH3FTO
SCHEMBL3973361 0.84 EGFR (0.52) EGFRERBB2MEN1KMT2AKAT6A
SCHEMBL3977341 0.81 CA1 (0.48) EGFRERBB2ALDH1A1
SCHEMBL3975403 0.78 EGFR (0.69) EGFRERBB2HDAC1HDAC8
SCHEMBL28326796 0.73 LMNA (0.66) MEN1ALDH1A1KMT2AGAAHTT
SCHEMBL25436732 0.72 MEN1 (0.60) ALKBH2ALKBH3FTOMEN1ALDH1A1
SCHEMBL3975862 0.71 PLA2G10 (0.53) EGFRERBB2MEN1ALDH1A1KMT2A
SCHEMBL3972176 0.71 EGFR (0.60) EGFRERBB2
SCHEMBL3973201 0.71 PTGER3 (0.47) EGFRERBB2MEN1ALDH1A1KMT2A
SCHEMBL422146 0.70 SLC22A12 (0.58) MEN1ALDH1A1KMT2AGAATDP1

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 854/4885ALKBH2 4565/4885
US-20080306117-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER3, NR4A3 EGFR 433/4885ERBB2 854/4885ALKBH2 4565/4885

“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.