SCHEMBL31535331

SCHEMBL31535331

COC(=O)c1ccc(Br)c(OC(F)F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.40
HTT P42858 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
CA14 Q9ULX7 1/20 0.36
SLC6A3 Q01959 2/20 0.35
SLC6A4 P31645 1/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
POLB P06746 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
SCHEMBL8044966 0.84 CES2 (0.43) HTTCA1CA2CA9CA12
SCHEMBL3585020 0.84 SOS1 (0.43) SOS1CA1CA2CA9CA12
SCHEMBL7499376 0.83 MAPT (0.36) HTTKDM4EALDH1A1HSD17B10TSHR
SCHEMBL17128958 0.79 SOS1 (0.46) SOS1CA1CA2CA9CA12
SCHEMBL7506686 0.77 KMT2A (0.39) HTTRAB9AGAAKDM4EALDH1A1
SCHEMBL31394518 0.76 SOS1 (0.44) SOS1CA1CA2CA9CA12
SCHEMBL31474052 0.76 CA1 (0.44) SOS1CA1CA2CA9CA12
SCHEMBL16035010 0.76 SOS1 (0.44) SOS1CA1CA2CA9CA12
SCHEMBL23303894 0.75 SOS1 (0.41) SOS1CA1CA2CA9CA12
SCHEMBL1813466 0.75 MAPT (0.47) SOS1NPC1RAB9ASMN1; SMN2POLB

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-20250122212-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2025-04-17 US disclosed
WO-2025078808-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2025-04-17 WO 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-20250122212-A1 NOVEL COMPOUNDS CYP11B1, CYP11B2, UGT1A1 SOS1 4001/4885HTT 3797/4885CA1 1755/4885

“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.