SCHEMBL21501276

SCHEMBL21501276

NC(C(O)O)C(F)(F)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
AHR P35869 1/20 0.35
CYP1A2 P05177 1/20 0.34
KIF11 P52732 2/20 0.34
PRKACA P17612 2/20 0.34
AKT1 P31749 2/20 0.34
AKT2 P31751 2/20 0.34
AKT3 Q9Y243 2/20 0.34
ROCK2 O75116 1/20 0.34
RPS6KA5 O75582 1/20 0.34
RPS6KA4 O75676 1/20 0.34
LATS1 O95835 1/20 0.34
PRKACB P22694 1/20 0.34
RPS6KB1 P23443 1/20 0.34
GRK2 P25098 1/20 0.34
RPS6KA3 P51812 1/20 0.34

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
SCHEMBL20325622 0.79 KIF11 (0.42) MEN1KMT2AKIF11PRCPGRIN2D
SCHEMBL20325890 0.73 KIF11 (0.45) MEN1KMT2ATSHRKIF11MAPT
SCHEMBL28971382 0.72 MEN1 (0.43) MEN1KMT2ATSHRMAPK1HIF1A
SCHEMBL20325611 0.72 DPP7 (0.45) MEN1KMT2ATSHR
SCHEMBL21501291 0.71 PSEN1 (0.33)
SCHEMBL8876935 0.69 KIF11 (0.61) AHRCYP1A2KIF11CYP19A1ALOX5
SCHEMBL25065810 0.67 MEN1 (0.42) MEN1KMT2ATSHRMAPK1HIF1A
SCHEMBL4652097 0.67 MIF (0.44) MEN1KMT2ATSHRMAPK1HIF1A
SCHEMBL20326532 0.66 DPP7 (0.46) MEN1KMT2ATSHR
SCHEMBL20325602 0.66 PPARG (0.46) MEN1KMT2ACYP1A2KIF11CYP3A4

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-20190322676-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARM INC (US) 2019-10-24 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-20190322676-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE UGCG, MAN2B1, GBA1 MEN1 1675/4885KMT2A 484/4885TSHR 4258/4885

“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.