SCHEMBL29337016

SCHEMBL29337016

CCCCCCC(C)(CCCCCC)CC1SC(=O)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
MAOA P21397 2/20 0.38
CISD1 Q9NZ45 2/20 0.38
MAOB P27338 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 0.35
CCR2 P41597 3/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CXCR4 P61073 1/20 0.34

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
SCHEMBL25459923 0.80 TSHR (0.47) EPHX2TSHRKDM4EHTTMAOA
SCHEMBL23641349 0.77 EPHX2 (0.64) EPHX2TSHRKDM4EHTTMAOA
SCHEMBL19542362 0.77 EPHX2 (0.64) EPHX2TSHRKDM4EHTTMAOA
SCHEMBL18881538 0.75 EPHX2 (0.38) EPHX2CCR2CCR1CCR5CXCR4
SCHEMBL20373884 0.75 EPHX2 (0.38) EPHX2CCR2CCR1CCR5CXCR4
SCHEMBL20393541 0.75 EPHX2 (0.38) EPHX2CCR2CCR1CCR5CXCR4
SCHEMBL12601239 0.75 TSHR (0.52) EPHX2TSHRKDM4EHTTMAOA
SCHEMBL23465778 0.74 EPHX2 (0.37) EPHX2CCR2CCR1CCR5CXCR4
SCHEMBL29337017 0.74 TSHR (0.47) EPHX2TSHRKDM4EHTTMAOA
SCHEMBL11169825 0.69 TSHR (0.53) EPHX2TSHRKDM4EHTTMAOA

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-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 EPHX2 2315/4885TSHR 2973/4885KDM4E 4001/4885

“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.