SCHEMBL10144136

SCHEMBL10144136

Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 1.00
KDM4E B2RXH2 2/20 1.00
NPSR1 Q6W5P4 2/20 1.00
HSD17B10 Q99714 2/20 1.00
USP2 O75604 1/20 1.00
NPC1 O15118 2/20 0.78
RAB9A P51151 1/20 0.78
MAPT P10636 1/20 0.67
MAPK1 P28482 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
TP53 P04637 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
CNR2 P34972 5/20 0.65
ALDH1A1 P00352 3/20 0.61
KMT2A Q03164 1/20 0.61
GAA P10253 1/20 0.60
HPGD P15428 1/20 0.60
OPRM1 P35372 1/20 0.60
OPRD1 P41143 1/20 0.60
CNR1 P21554 1/20 0.59

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
SCHEMBL5624844 0.88 NPC1 (1.00) TSHRKDM4ENPSR1HSD17B10USP2
SCHEMBL13870899 0.85 TP53 (0.81) TSHRKDM4ENPSR1HSD17B10USP2
SCHEMBL13870901 0.79 TP53 (1.00) TSHRKDM4ENPSR1HSD17B10USP2
SCHEMBL1094889 0.79 TP53 (1.00) TSHRKDM4ENPSR1HSD17B10USP2
SCHEMBL4258322 0.78 SMN1; SMN2 (0.82) TSHRKDM4EHSD17B10USP2NPC1
SCHEMBL17479175 0.75 CNR2 (0.83) TSHRRAB9AMAPTMAPK1L3MBTL1
SCHEMBL16088766 0.75 LMNA (0.68) TSHRKDM4ENPSR1HSD17B10USP2
SCHEMBL29717171 0.74 CNR2 (0.73) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL5626636 0.74 CNR2 (1.00) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL13870904 0.74 MEN1 (1.00) TSHRKDM4ENPSR1HSD17B10USP2

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-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS BIOMARIN PHARMACEUTICAL INC. 2012-04-26 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-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS ENGASE, GALNT1, GALNT13 TSHR 2802/4885KDM4E 3708/4885NPSR1 2181/4885

“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.