SCHEMBL25225384

SCHEMBL25225384

CC(C)[Si](C#CC(=O)c1ccnc(C(F)(F)F)n1)(C(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 5/20 0.36
▸ IDH1 O75874 2/20 0.35
▸ IDH2 P48735 2/20 0.35
▸ MMP13 P45452 3/20 0.33
▸ ACACB O00763 2/20 0.33
▸ MALT1 Q9UDY8 1/20 0.32
▸ AAK1 Q2M2I8 3/20 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
SCHEMBL4896211 0.76 ALDH1A1 (0.41) CBLBIDH1IDH2MMP13ACACB
SCHEMBL9927077 0.75 IDH1 (0.40) CBLBIDH1IDH2MMP13ACACB
SCHEMBL14677116 0.73 P2RX7 (0.42) —
SCHEMBL28018942 0.72 IDH1 (0.41) CBLBIDH1IDH2MMP13MALT1
SCHEMBL22924538 0.71 CBLB (0.45) CBLBIDH1IDH2MMP13ACACB
SCHEMBL25211384 0.71 CA2 (0.36) ACACB
SCHEMBL1578155 0.71 KDM4E (0.49) MALT1
SCHEMBL30307646 0.70 IDH1 (0.35) IDH1IDH2MALT1AAK1
SCHEMBL28956111 0.70 IDH1 (0.35) IDH1IDH2MALT1AAK1
SCHEMBL2791548 0.70 KMT2A (0.47) CBLBMALT1

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-20230174514-A1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-06-08 — — 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-20230174514-A1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS CCR6, CCR1, CCR3 CBLB 1119/4885IDH1 4236/4885IDH2 4446/4885

“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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