SCHEMBL27057125

SCHEMBL27057125

COC(=O)CCOc1cc2nc(C)nc(Cl)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 2/20 0.49
▸ TNF P01375 2/20 0.48
▸ HDAC1 Q13547 13/20 0.43
▸ HDAC8 Q9BY41 13/20 0.43
▸ HDAC6 Q9UBN7 13/20 0.43
▸ HDAC3 O15379 11/20 0.43
▸ HDAC2 Q92769 11/20 0.43
▸ HDAC10 Q969S8 11/20 0.43
▸ PDE4A P27815 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ HDAC4 P56524 10/20 0.41
▸ HDAC7 Q8WUI4 10/20 0.41
▸ HDAC11 Q96DB2 10/20 0.41
▸ HDAC9 Q9UKV0 10/20 0.41
▸ HDAC5 Q9UQL6 10/20 0.41
▸ KDR P35968 9/20 0.41
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ ERBB2 P04626 1/20 0.40

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
SCHEMBL27041271 0.92 TNF (0.51) ENPP1TNFHDAC1HDAC8HDAC6
SCHEMBL27041258 0.81 ENPP1 (0.42) ENPP1TNFHDAC1HDAC8HDAC6
SCHEMBL372259 0.80 PDE4A (0.54) ENPP1PDE4APDE4DPDE3BPDE3A
SCHEMBL29723105 0.80 PDE4A (0.54) ENPP1PDE4APDE4DPDE3BPDE3A
SCHEMBL27057162 0.79 ENPP1 (0.46) ENPP1TNFHDAC1HDAC8HDAC6
SCHEMBL27057148 0.78 ENPP1 (0.57) ENPP1TNFPDE4APDE4DKDR
SCHEMBL27057129 0.78 MEN1 (0.49) TNFPDE3BPDE3A
SCHEMBL28486664 0.77 PDE4A (0.47) ENPP1TNFPDE4APDE4DKDR
Hydrochloric Acid SCHEMBL29127441 0.76 PDE4A (0.46) ENPP1TNFPDE4APDE4DKDR
SCHEMBL20509231 0.74 ELANE (0.55) ENPP1EGFR

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 1234/4885TNF 3775/4885HDAC1 3166/4885

“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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