SCHEMBL29944192

SCHEMBL29944192

COC(=O)c1cc(Br)c(C(F)(F)F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.56
SOS1 Q07889 1/20 0.55
CFTR P13569 6/20 0.47
PTPN2 P17706 1/20 0.39
MAPT P10636 4/20 0.37
NPSR1 Q6W5P4 3/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
EPHX1 P07099 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 3/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
XBP1 P17861 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL24065786 1.00 NOTUM (0.56) NOTUMSOS1CFTRPTPN2MAPT
SCHEMBL18382142 0.89 SOS1 (0.50) NOTUMSOS1CFTRPTPN2NPSR1
SCHEMBL28921143 0.88 SOS1 (0.49) NOTUMSOS1CFTRPTPN2NPSR1
SCHEMBL20471822 0.84 NOTUM (0.56) NOTUMSOS1CFTRPTPN2MAPT
SCHEMBL29835141 0.84 NOTUM (0.60) NOTUMSOS1CFTRPTPN2MAPT
SCHEMBL20150029 0.84 NOTUM (0.60) NOTUMSOS1CFTRPTPN2MAPT
SCHEMBL16647670 0.83 PTPN2 (0.43) NOTUMSOS1PTPN2NPSR1KDM4E
SCHEMBL23526150 0.83 NOTUM (0.55) NOTUMSOS1CFTRPTPN2MAPT
SCHEMBL3533161 0.83 CFTR (0.68) NOTUMSOS1CFTRMAPTKDM4E
SCHEMBL23525884 0.83 SOS1 (0.57) NOTUMSOS1CFTRPTPN2MAPT

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-11498915-B2 TrkA Inhibitor ELI LILLY AND COMPANY (US) 2022-11-15 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-11498915-B2 TrkA Inhibitor NGF, NGFR, OPRL1 NOTUM 3683/4885SOS1 2669/4885CFTR 4371/4885

“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.