SCHEMBL6428624

SCHEMBL6428624

CCC(C)CNC1=NC(=O)C(CC(=O)N2CCCc3ccccc32)S1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 3/20 0.45
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
NOTUM Q6P988 1/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6426299 0.87 GRM7 (0.46) GRM7ALDH1A1SMN1; SMN2KMT2ANPSR1
Trifluoroacetic Acid SCHEMBL6503442 0.82 GRM7 (0.44) GRM7ALDH1A1SMN1; SMN2KMT2ANPSR1
SCHEMBL6426067 0.82 KDM4E (0.44) GRM7ALDH1A1SMN1; SMN2KMT2ATSHR
SCHEMBL1605788 0.82 TSHR (0.46) GRM7ALDH1A1SMN1; SMN2NPSR1TSHR
SCHEMBL6428159 0.81 GRM7 (0.46) GRM7ALDH1A1SMN1; SMN2KMT2ANPSR1
SCHEMBL6507627 0.81 GRM7 (0.46) GRM7ALDH1A1SMN1; SMN2KMT2ANPSR1
SCHEMBL6428309 0.81 GRM7 (0.46) GRM7ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL6508360 0.80 ALDH1A1 (0.47) GRM7ALDH1A1SMN1; SMN2KMT2ANPSR1
SCHEMBL6427597 0.80 ALDH1A1 (0.47) GRM7ALDH1A1SMN1; SMN2KMT2ANPSR1
SCHEMBL6502545 0.80 TSHR (0.53) GRM7ALDH1A1SMN1; SMN2KMT2ANPSR1

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US disclosed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 GRM7 3318/4885ALDH1A1 67/4885SMN1; SMN2 3733/4885

“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.