SCHEMBL6428790

SCHEMBL6428790

CC1CCN(C(=O)CC2SC(NCC3CCCCC3)=NC2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 7/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
ACKR3 P25106 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6427385 0.91 TSHR (0.47) HPGDNPSR1TSHRALDH1A1MEN1
SCHEMBL6503596 0.91 TSHR (0.47) HPGDNPSR1TSHRALDH1A1MEN1
SCHEMBL6427044 0.91 TSHR (0.47) HPGDNPSR1TSHRALDH1A1MEN1
SCHEMBL6429044 0.87 ALDH1A1 (0.39) TSHRMAPTALDH1A1KDM4ETP53
SCHEMBL6426928 0.85 TSHR (0.34) HPGDTSHRALDH1A1SIGMAR1
SCHEMBL6427850 0.84 TSHR (0.40) HPGDTSHRALDH1A1NPC1RAB9A
SCHEMBL6428130 0.83 KMT2A (0.49) ALDH1A1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1605522 0.81 KDM4C (0.38) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL6386550 0.81 NAMPT (0.42) HPGDMAPTALDH1A1MEN1KMT2A
SCHEMBL6427333 0.79 ALDH1A1 (0.44) HPGDMAPTALDH1A1NPC1RAB9A

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 HPGD 66/4885NPSR1 687/4885TSHR 2078/4885

“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.