SCHEMBL22554881

SCHEMBL22554881

Cc1cc2c(cnn2C2CCCCO2)c([Sn](C)(C)C)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.41
▸ CYP4A11 Q02928 2/20 0.41
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ATR Q13535 2/20 0.35
▸ KRAS P01116 1/20 0.34
▸ PDE1A P54750 5/20 0.33
▸ PDE1B Q01064 5/20 0.33
▸ PDE1C Q14123 5/20 0.33
▸ YTHDC1 Q96MU7 1/20 0.33
▸ DGAT2 Q96PD7 1/20 0.33
▸ RET P07949 2/20 0.32
▸ GRM1 Q13255 1/20 0.32
▸ PDE9A O76083 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL21196104 0.83 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL21196042 0.83 CYP4F2 (0.47) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL29563445 0.83 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL24779651 0.81 CYP4F2 (0.41) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL23546397 0.81 CYP4F2 (0.43) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30959607 0.81 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL29563167 0.81 CYP4F2 (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL24460667 0.81 CYP4F2 (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL25021243 0.79 CYP4F2 (0.49) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL21243880 0.77 CYP4F2 (0.38) CYP4F2CYP4A11RXRARXRBRXRG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548888-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2023-01-10 — — US disclosed
EP-4087573-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2022-11-16 — — EP disclosed
US-20200331911-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2020-10-22 — — 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 (2 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-11548888-B2 KRas G12C inhibitors KRAS, NRAS, HRAS CYP4F2 4223/4885CYP4A11 1434/4885RXRA 3298/4885
US-20200331911-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS CYP4F2 4223/4885CYP4A11 1434/4885RXRA 3298/4885

“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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