SCHEMBL3495353

SCHEMBL3495353

CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccccc1S2(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
PDK2 Q15119 1/20 0.41
BUB1 O43683 1/20 0.40
MAPK1 P28482 1/20 0.40
PDK4 Q16654 1/20 0.40
USP30 Q70CQ3 1/20 0.40
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
TACR1 P25103 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
DTYMK P23919 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3R2 O00459 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39

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
SCHEMBL3495351 1.00 TSHR (0.41) TSHRALOX15ATMGPR119PDK2
SCHEMBL3493039 0.85 GPR119 (0.41) TSHRALOX15ATMGPR119BUB1
SCHEMBL3493037 0.85 GPR119 (0.41) TSHRALOX15ATMGPR119BUB1
SCHEMBL10258144 0.78 CRBN (0.49) TSHRALOX15CHRM2CHRM3
SCHEMBL29562510 0.76 HRH3 (0.51) TSHRALOX15ATMGPR119PDK2
SCHEMBL1221984 0.76 HRH3 (0.51) TSHRALOX15ATMGPR119PDK2
SCHEMBL20511867 0.75 OPRD1 (0.49) TSHRALOX15ATMGPR119PDK2
SCHEMBL29993143 0.75 OPRD1 (0.49) TSHRALOX15ATMGPR119PDK2
SCHEMBL620687 0.74 GPR3 (0.36)
SCHEMBL7672299 0.73 OPRD1 (0.46) TSHRALOX15ATMGPR119PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 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-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B TSHR 3339/4885ALOX15 336/4885ATM 622/4885

“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.