SCHEMBL19002803

SCHEMBL19002803

CCC(=O)N1CCNC(Cc2cccc(F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA9 Q16790 2/20 0.44
MLNR O43193 6/20 0.44
EPHX2 P34913 1/20 0.43
PLG P00747 1/20 0.42
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 2/20 0.41
KCNH2 Q12809 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
CCR3 P51677 1/20 0.41
BCL2A1 Q16548 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ATM Q13315 1/20 0.39
PARP1 P09874 2/20 0.39
PARP2 Q9UGN5 2/20 0.39

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
SCHEMBL19049071 0.88 CA1 (0.46) CA1CA2CA4CA9MLNR
SCHEMBL19002807 0.85 CCR3 (0.45) CA1CA2CA4CA9MLNR
SCHEMBL19002804 0.85 CA1 (0.58) CA1CA2CA4CA9EPHX2
SCHEMBL24943193 0.85 MLNR (0.46) CA1CA2CA4CA9MLNR
SCHEMBL18997561 0.85 CA1 (0.43) CA1CA2CA4CA9MLNR
SCHEMBL21169258 0.85 CA1 (0.43) CA1CA2CA4CA9MLNR
SCHEMBL19002806 0.84 CCR3 (0.47) CA1CA2CA4CA9CCR3
SCHEMBL13859632 0.79 PLG (0.45) MLNRPLGALDH1A1ATM
SCHEMBL19002567 0.79 EPHX2 (0.45) MLNREPHX2CYP3A4CYP2D6KCNH2
SCHEMBL27962885 0.78 EED (0.49) EPHX2CCR3ALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 CA1 4238/4885CA2 4222/4885CA4 3811/4885

“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.