SCHEMBL20974692

SCHEMBL20974692

CC1(C)OC(=O)C(C(=O)C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)NC(=O)O)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SMYD2 Q9NRG4 3/20 0.35
▸ BACE1 P56817 1/20 0.33
▸ PSMB5 P28074 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ IDO1 P14902 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
SCHEMBL20974694 1.00 CYP3A4 (0.36) CYP3A4HTTSMN1; SMN2SMYD2BACE1
SCHEMBL20975090 0.91 IDO1 (0.41) IDO1
SCHEMBL20975089 0.91 IDO1 (0.41) IDO1
SCHEMBL23459129 0.76 KMT2A (0.42) —
SCHEMBL23459130 0.76 KMT2A (0.42) —
SCHEMBL20974690 0.74 BACE1 (0.34) BACE1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL22154195 0.72 CTSS (0.54) —
SCHEMBL20734850 0.72 CTSS (0.54) —
SCHEMBL22463068 0.72 BACE1 (0.37) CYP3A4HTTSMN1; SMN2BACE1ALDH1A1
SCHEMBL30954515 0.71 CYP3A4 (0.36) CYP3A4HTTSMN1; SMN2SMYD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 — — CN disclosed
US-20240101553-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-03-28 — — US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 — — US disclosed
US-20200262837-A1 KRAS G12C INHIBITORS ARRAY BIOPHARMA INC. 2020-08-20 — — US disclosed
US-10689377-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2020-06-23 — — US disclosed
US-20190144444-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2019-05-16 — — 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 (5 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-20190144444-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS CYP3A4 4465/4885HTT 948/4885SMN1; SMN2 4385/4885
US-20200262837-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS CYP3A4 4465/4885HTT 948/4885SMN1; SMN2 4385/4885
US-10689377-B2 KRas G12C inhibitors KRAS, NRAS, HRAS CYP3A4 4465/4885HTT 948/4885SMN1; SMN2 4385/4885
US-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS CYP3A4 4465/4885HTT 948/4885SMN1; SMN2 4385/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS CYP3A4 4465/4885HTT 948/4885SMN1; SMN2 4385/4885

“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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