SCHEMBL27041258

SCHEMBL27041258

COc1cc2c(Cl)nc(C)nc2cc1OCCOCCOCCOCCNC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 2/20 0.42
▸ EHMT2 Q96KQ7 2/20 0.40
▸ TNF P01375 1/20 0.40
▸ KDR P35968 7/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ EGFR P00533 7/20 0.39
▸ KRAS P01116 2/20 0.39
▸ SOS1 Q07889 2/20 0.39
▸ HTT P42858 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38

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
SCHEMBL29486883 0.87 LMNA (0.51) KDREGFRHDAC1HDAC8HDAC6
SCHEMBL27057148 0.83 ENPP1 (0.57) ENPP1EHMT2TNFKDRFLT1
SCHEMBL27057125 0.81 ENPP1 (0.49) ENPP1TNFKDREGFRPDE4A
SCHEMBL27041207 0.80 MEN1 (0.47) EHMT2KDM4EHTT
SCHEMBL27041271 0.78 TNF (0.51) ENPP1TNFKDREGFRHDAC1
SCHEMBL26604411 0.76 EGFR (0.41) ENPP1KDREGFRKRASSOS1
SCHEMBL26611261 0.76 KRAS (0.55) EGFRKRASSOS1
SCHEMBL26611269 0.76 KRAS (0.55) EGFRKRASSOS1
SCHEMBL27244603 0.76 KRAS (0.49) EGFRKRASSOS1
SCHEMBL29723105 0.76 PDE4A (0.54) ENPP1KDM4EEGFRKRASSOS1

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-20240025863-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2024-01-25 — — 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-20240025863-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS SOS1, SOS2, SOST ENPP1 1234/4885EHMT2 4526/4885TNF 3775/4885

“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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