SCHEMBL3499136

SCHEMBL3499136

CC(C)(C)OC(=O)Nc1sc(CCCO)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 1/20 0.44
HSD17B10 Q99714 4/20 0.43
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HDAC3 O15379 2/20 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
SCHEMBL2824619 0.77 NPSR1 (0.45) GRIN2CALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL23413323 0.76 DAO (0.45) GRIN2CMAPTNPC1RAB9AKDM4E
SCHEMBL3495317 0.76 NPC1 (0.41) GRIN2CALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3216985 0.76 RPS6KB1 (0.47) GRIN2CKMT2ARXFP1NPC1RAB9A
SCHEMBL13348132 0.75 HSD17B10 (0.54) HSD17B10ALDH1A1KMT2ASMN1; SMN2RXFP1
SCHEMBL17881364 0.72 CA12 (0.41) HSD17B10TDP1ALDH1A1MEN1KMT2A
SCHEMBL6031509 0.72 HSD17B10 (0.54) HSD17B10ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6031060 0.72 HSD17B10 (0.54) GRIN2CHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL6031439 0.72 HSD17B10 (0.54) GRIN2CHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL6031306 0.72 HSD17B10 (0.54) GRIN2CHSD17B10ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP 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-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC GRIN2C 3909/4885HSD17B10 92/4885TDP1 4778/4885

“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.