SCHEMBL13139529

SCHEMBL13139529

COC(=O)CCn1ccc2cccc(NS(=O)(=O)c3ccccc3C(C)(F)F)c21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SLC40A1 Q9NP59 4/20 0.40
▸ ACLY P53396 1/20 0.40
▸ SLC22A12 Q96S37 5/20 0.39
▸ HTR6 P50406 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ PTGER3 P43115 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ MGAT2 Q10469 1/20 0.35

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
SCHEMBL3049391 0.94 KMT2A (0.47) MEN1ALDH1A1KMT2ASLC40A1ACLY
SCHEMBL13139542 0.90 MEN1 (0.44) MEN1ALDH1A1KMT2ASLC40A1ACLY
SCHEMBL3057088 0.83 MEN1 (0.53) MEN1ALDH1A1KMT2ASLC40A1ACLY
SCHEMBL13139534 0.79 MEN1 (0.47) MEN1ALDH1A1KMT2ASLC40A1ACLY
SCHEMBL3055522 0.77 KMT2A (0.55) MEN1ALDH1A1KMT2ASLC40A1ACLY
SCHEMBL13139533 0.76 GAA (0.40) MEN1ALDH1A1KMT2APTGER3
SCHEMBL3049389 0.75 MEN1 (0.50) MEN1ALDH1A1KMT2ASLC40A1ACLY
SCHEMBL3063588 0.74 HTR6 (0.51) SLC22A12HTR6PTGDR2BRD4
SCHEMBL13139527 0.71 HTR6 (0.48) ACLYHTR6KDM4E
SCHEMBL2866149 0.69 KDM4E (0.41) MEN1ALDH1A1KMT2AKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 — — US disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 — — US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — 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-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB MEN1 1256/4885ALDH1A1 1551/4885KMT2A 2512/4885

“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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