SCHEMBL23699882

SCHEMBL23699882

O=C(Nc1ccc(F)c(F)c1)N(Cc1ccc(F)c(OC(F)(F)F)c1)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 13/20 0.48
UBE2M P61081 12/20 0.48
TP53 P04637 2/20 0.47
NTRK1 P04629 1/20 0.46
GCGR P47871 4/20 0.43
EPHX2 P34913 1/20 0.43
ADCY6 O43306 1/20 0.42
ADCY3 O60266 1/20 0.42
ADCY9 O60503 1/20 0.42
ADCY5 O95622 1/20 0.42
ADCY8 P40145 1/20 0.42
GLP1R P43220 1/20 0.42
GIPR P48546 1/20 0.42
ADCY7 P51828 1/20 0.42
ADCY2 Q08462 1/20 0.42
ADCY1 Q08828 1/20 0.42
ADCY4 Q8NFM4 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
SCHEMBL23199924 0.86 NTRK1 (0.55) DCUN1D1UBE2MTP53NTRK1GCGR
SCHEMBL23699904 0.85 DCUN1D1 (0.57) DCUN1D1UBE2MTP53
SCHEMBL23699928 0.82 DCUN1D1 (0.61) DCUN1D1UBE2M
SCHEMBL23200045 0.81 TP53 (0.53) DCUN1D1UBE2MTP53
SCHEMBL23200182 0.80 UBE2M (0.49) DCUN1D1UBE2MTP53
SCHEMBL23699945 0.76 TP53 (0.48) DCUN1D1UBE2MTP53
SCHEMBL23200018 0.75 ALDH1A1 (0.72) DCUN1D1UBE2M
SCHEMBL11062441 0.74 DCUN1D1 (0.64) DCUN1D1UBE2MNTRK1GCGRADCY6
SCHEMBL23200140 0.73 ALDH1A1 (0.47) DCUN1D1UBE2MTP53NTRK1
SCHEMBL23200112 0.73 POLB (0.56) DCUN1D1UBE2MTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 US claimed
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 US disclosed
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 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 (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-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM TPH1, KYNU, TPH2 DCUN1D1 1039/4885UBE2M 3929/4885TP53 557/4885

“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.