SCHEMBL13802419

SCHEMBL13802419

O=C(O)Cc1cn(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.58
AKR1C2 P52895 5/20 0.53
PTGS1 P23219 2/20 0.53
AKR1C4 P17516 1/20 0.53
KMT2A Q03164 5/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
THRB P10828 1/20 0.45
ABCB1 P08183 2/20 0.45
BLM P54132 1/20 0.43
MGLL Q99685 1/20 0.43
MEN1 O00255 1/20 0.43
AR P10275 1/20 0.43
MCL1 Q07820 1/20 0.43

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
SCHEMBL13814111 0.86 KMT2A (0.47) AKR1C3AKR1C2KMT2AKDM4EALDH1A1
SCHEMBL13802398 0.82 KMT2A (0.59) KMT2AKDM4EALDH1A1THRBBLM
SCHEMBL13802421 0.80 KMT2A (0.57) AKR1C3AKR1C2PTGS1AKR1C4KMT2A
SCHEMBL4205369 0.76 ABCB1 (0.69) AKR1C3AKR1C2PTGS1AKR1C4KMT2A
SCHEMBL27474952 0.75 AKR1C3 (0.59) AKR1C3AKR1C2PTGS1AKR1C4KMT2A
SCHEMBL4216463 0.74 AKR1C3 (0.58) AKR1C3AKR1C2PTGS1AKR1C4KMT2A
SCHEMBL13802438 0.74 ABCB1 (0.69) AKR1C3AKR1C2PTGS1AKR1C4KMT2A
SCHEMBL18133072 0.74 AKR1C3 (0.81) AKR1C3AKR1C2PTGS1AKR1C4AR
SCHEMBL2467334 0.74 CDC25A (0.54) AKR1C3AKR1C2KDM4EALDH1A1MCL1
SCHEMBL28466412 0.73 KMT2A (0.61) AKR1C3AKR1C2PTGS1AKR1C4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 AKR1C3 570/4885AKR1C2 653/4885PTGS1 2198/4885

“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.