SCHEMBL29336772

SCHEMBL29336772

CS(=O)(=O)c1c(Oc2cccc(-c3ncc(C(=O)c4ccccc4)[nH]3)c2)c(F)cc2[nH]ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.36
▸ BACE1 P56817 2/20 0.35
▸ BACE2 Q9Y5Z0 2/20 0.35
▸ DHODH Q02127 2/20 0.35
▸ NR1H2 P55055 3/20 0.34
▸ NR1H3 Q13133 2/20 0.34
▸ GRIN2D O15399 2/20 0.34
▸ GRIN3B O60391 2/20 0.34
▸ GRIN1 Q05586 2/20 0.34
▸ GRIN2A Q12879 2/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ GRIN2C Q14957 2/20 0.34
▸ GRIN3A Q8TCU5 2/20 0.34
▸ DGAT2 Q96PD7 1/20 0.34
▸ CHEK2 O96017 1/20 0.33
▸ SDHB P21912 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ CCNE2 O96020 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32

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
SCHEMBL30285518 1.00 PIN1 (0.36) PIN1BACE1BACE2DHODHNR1H2
SCHEMBL29336583 0.83 BACE1 (0.37) BACE1BACE2DHODHNR1H2NR1H3
SCHEMBL30285449 0.83 BACE1 (0.37) BACE1BACE2DHODHNR1H2NR1H3
SCHEMBL29336566 0.82 KDM4E (0.35) BACE1BACE2DHODHNR1H2NR1H3
SCHEMBL30285379 0.82 KDM4E (0.35) BACE1BACE2DHODHNR1H2NR1H3
SCHEMBL29336584 0.81 BACE1 (0.36) BACE1BACE2DHODHNR1H2NR1H3
SCHEMBL30285506 0.81 BACE1 (0.36) BACE1BACE2DHODHNR1H2NR1H3
SCHEMBL29336944 0.78 FFAR4 (0.33) CCNE2CCNE1CDK2ALDH1A1
SCHEMBL30285411 0.78 FFAR4 (0.33) CCNE2CCNE1CDK2ALDH1A1
SCHEMBL30967875 0.76 DGAT2 (0.34) DHODHNR1H2NR1H3DGAT2KDM4E

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-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION 2024-07-18 — — US disclosed
US-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION 2024-07-18 — — 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-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE CFTR, INMT, IDO1 PIN1 847/4885BACE1 3871/4885BACE2 3643/4885

“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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