SCHEMBL25455142

SCHEMBL25455142

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nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.53
CACNA1B Q00975 1/20 0.53
SSTR1 P30872 1/20 0.47
SSTR2 P30874 1/20 0.47
SSTR4 P31391 1/20 0.47
SSTR3 P32745 1/20 0.47
SSTR5 P35346 1/20 0.47
CTSG P08311 1/20 0.46
TSLP Q969D9 10/20 0.45
PLAU P00749 2/20 0.44
KLKB1 P03952 1/20 0.44
ACE2 Q9BYF1 1/20 0.44

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
SCHEMBL25458001 0.91 CACNA1B (0.46) KEAP1CACNA1BSSTR1SSTR2SSTR4
SCHEMBL25455154 0.90 CACNA1B (0.61) KEAP1CACNA1BSSTR1SSTR2SSTR4
SCHEMBL25456785 0.87 KEAP1 (0.55) KEAP1CACNA1BSSTR1SSTR2SSTR4
SCHEMBL25455153 0.87 PLAU (0.47) KEAP1CACNA1BSSTR1SSTR2SSTR4
SCHEMBL25456827 0.81 CACNA1B (0.53) CACNA1BSSTR1SSTR2SSTR4SSTR3
SCHEMBL25456105 0.79 PLAU (0.42) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL19232193 0.76 CACNA1B (0.56) CACNA1BSSTR1SSTR2SSTR4SSTR3
SCHEMBL29557412 0.75 KEAP1 (0.59) KEAP1PLAUKLKB1ACE2
SCHEMBL19232199 0.74 CACNA1B (0.65) KEAP1CACNA1BSSTR1SSTR2SSTR4
SCHEMBL15082201 0.74 CACNA1B (0.56) KEAP1CACNA1BCTSGPLAUKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145835-A1 Modulators of Alpha-4-beta-7 Integrin and MAdCAM QUANTUM INTELLIGENCE CORP. (KR) 2023-05-11 US disclosed
US-20230145835-A1 Modulators of Alpha-4-beta-7 Integrin and MAdCAM QUANTUM INTELLIGENCE CORP. (KR) 2023-05-11 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-20230145835-A1 Modulators of Alpha-4-beta-7 Integrin and MAdCAM ITGB7, ITGAM, ITGA4 KEAP1 4862/4885CACNA1B 952/4885SSTR1 2705/4885

“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.