SCHEMBL2096743

SCHEMBL2096743

NC(=O)c1cccc(CC(F)(F)F)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.41
PDK2 Q15119 2/20 0.40
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
XBP1 P17861 1/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
PARP1 P09874 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 1/20 0.36
PLA2G1B P04054 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
CD38 P28907 3/20 0.36
AURKA O14965 2/20 0.36
RPS6KB1 P23443 2/20 0.36

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
SCHEMBL363265 0.82 KDM4E (0.45) PDK2KMT2AMEN1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL27491870 0.81 KDM4E (0.44) PDK2KMT2AMEN1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL28047477 0.81 KDM4E (0.44) PDK2KMT2AMEN1KDM4EALDH1A1
SCHEMBL27701476 0.80 PNMT (0.52) P2RX7KMT2ALMNAMEN1KDM4E
SCHEMBL2896616 0.79 PARP1 (0.44) P2RX7KMT2ALMNAMEN1KDM4E
SCHEMBL28204617 0.79 PARP1 (0.46) P2RX7KMT2ALMNAMEN1KDM4E
SCHEMBL5373201 0.77 KDM4E (0.42) PDK2KMT2ALMNAMEN1XBP1
SCHEMBL1116586 0.77 KMT2A (0.50) P2RX7KMT2ALMNAMEN1XBP1
SCHEMBL8671032 0.76 KDM4E (0.52) KDM4EALDH1A1PARP1SMN1; SMN2AURKA
SCHEMBL14661059 0.76 AKR1B1 (0.46) P2RX7LMNAKDM4EALDH1A1HPGD

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-20100105675-A2 11 BETA-HSD1 MODULATORS EXELIXIS, INC. (US) 2010-04-29 US claimed
US-20090247515-A1 11 Beta-HSD1 Modulators EXELIXIS, INC. (US) 2009-10-01 US claimed
US-8163771-B2 11 β-HSD1 modulators EXELIXIS, INC. (US) 2012-04-24 US disclosed
US-20100105675-A2 11 BETA-HSD1 MODULATORS EXELIXIS, INC. (US) 2010-04-29 US disclosed
US-20090247515-A1 11 Beta-HSD1 Modulators EXELIXIS, INC. (US) 2009-10-01 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-20100105675-A2 11 BETA-HSD1 MODULATORS HSD11B1, HSD11B2, HSD3B1 P2RX7 4295/4885PDK2 477/4885KMT2A 2538/4885
US-20090247515-A1 11 Beta-HSD1 Modulators HSD11B1, HSD11B2, HSD3B1 P2RX7 4726/4885PDK2 594/4885KMT2A 1907/4885

“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.