SCHEMBL29486877

SCHEMBL29486877

COc1cc2c(N[C@H](C)c3cccc(Br)c3)nc(C)nc2cc1OCCOCCOCCOCCNC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 17/20 0.61
▸ KRAS P01116 10/20 0.61
▸ EGFR P00533 3/20 0.52
▸ HDAC3 O15379 2/20 0.46
▸ HDAC4 P56524 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC7 Q8WUI4 2/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ HDAC10 Q969S8 2/20 0.46
▸ HDAC11 Q96DB2 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ HDAC9 Q9UKV0 2/20 0.46
▸ HDAC5 Q9UQL6 2/20 0.46
▸ ERBB2 P04626 1/20 0.46
▸ FBP1 P09467 1/20 0.42

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
SCHEMBL27041231 0.91 SOS1 (0.70) SOS1KRASEGFRHDAC3HDAC4
SCHEMBL29595489 0.84 SOS1 (0.80) SOS1KRASEGFRFBP1
SCHEMBL20509131 0.84 SOS1 (0.80) SOS1KRASEGFRFBP1
SCHEMBL20509132 0.84 SOS1 (0.80) SOS1KRASEGFRFBP1
SCHEMBL27057145 0.83 SOS1 (0.77) SOS1KRASEGFRFBP1
SCHEMBL27041247 0.82 SOS1 (0.71) SOS1KRASEGFRHDAC3HDAC4
SCHEMBL27041264 0.82 SOS1 (0.71) SOS1KRASEGFRHDAC3HDAC4
SCHEMBL29985070 0.82 SOS1 (0.64) SOS1KRASEGFRHDAC3HDAC4
SCHEMBL27057118 0.82 SOS1 (0.76) SOS1KRASEGFRHDAC3HDAC4
SCHEMBL27041265 0.82 SOS1 (0.76) SOS1KRASEGFRFBP1

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-20240025863-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2024-01-25 — — US disclosed
WO-2022061348-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2022-03-24 — — 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-20240025863-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS SOS1, SOS2, SOST SOS1 1/4885KRAS 143/4885EGFR 1000/4885

“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.

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