SCHEMBL25839671

SCHEMBL25839671

COC(=O)c1cc(Br)c(C(F)(F)F)c(F)c1I

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 1.00
CFTR P13569 3/20 0.43
NOTUM Q6P988 2/20 0.42
PDK2 Q15119 6/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
PTPN2 P17706 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR4A2 P43354 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
PDK4 Q16654 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL29841573 0.78 SOS1 (0.63) SOS1CFTRNOTUMPDK2MRGPRX4
SCHEMBL29089686 0.78 SOS1 (0.63) SOS1CFTRNOTUMPDK2MRGPRX4
SCHEMBL31439044 0.77 SOS1 (0.62) SOS1CFTRNOTUMPDK2MRGPRX4
SCHEMBL28749071 0.76 SOS1 (0.61) SOS1CFTRNOTUMPDK2MRGPRX4
SCHEMBL29089727 0.74 SOS1 (0.59) SOS1CFTRNOTUMPDK2MRGPRX4
SCHEMBL29841615 0.74 SOS1 (0.59) SOS1CFTRNOTUMPDK2MRGPRX4
SCHEMBL2295241 0.74 SOS1 (0.58) SOS1CFTRNOTUMPDK2MRGPRX4
SCHEMBL17201188 0.73 SOS1 (0.58) SOS1CFTRNOTUMPDK2CA12
SCHEMBL31582812 0.73 SOS1 (0.57) SOS1CFTRNOTUMPDK2ALDH1A1
SCHEMBL24457593 0.73 SOS1 (0.57) SOS1CFTRNOTUMPDK2ALDH1A1

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-11702418-B2 SOS1 inhibitors Mirati Therapeutics, Inc. (US) 2023-07-18 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-11702418-B2 SOS1 inhibitors SOS1, SOS2, SOST SOS1 1/4885CFTR 1688/4885NOTUM 3153/4885

“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.