SCHEMBL7081822

SCHEMBL7081822

CC(C)(C)OC(=O)CC(=O)CC(O)CCc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
ALDH1A1 P00352 2/20 0.40
VNN1 O95497 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGER1 P34995 1/20 0.39
PTGFR P43088 1/20 0.39
PTGER3 P43115 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
CCNT1 O60563 1/20 0.39
TAAR1 Q96RJ0 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
SCHEMBL5670630 0.85 CTSS (0.39) CTSSCTSKPOLBGAATSHR
SCHEMBL7082464 0.85 POLB (0.48) CTSSCTSKPOLBGAATSHR
SCHEMBL5670364 0.85 POLB (0.48) CTSSCTSKPOLBGAATSHR
SCHEMBL7084643 0.81 PTGER1 (0.47) POLBGAAPTGER1PTGFRPTGER3
SCHEMBL7084641 0.81 PTGER1 (0.47) POLBGAAPTGER1PTGFRPTGER3
SCHEMBL7080266 0.78 RIPK1 (0.39) CTSSCTSKPOLBTSHRLMNA
SCHEMBL7081448 0.77 F10 (0.47) POLBGAALMNAPPARGSMN1; SMN2
SCHEMBL7081449 0.77 F10 (0.47) POLBGAALMNAPPARGSMN1; SMN2
SCHEMBL7148179 0.74 TAAR1 (0.50) CTSSCTSKCCNT1TAAR1
SCHEMBL19215337 0.74 PPARA (0.46) CTSSPPARGSMN1; SMN2MMP1

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-20030236302-A1 Synthetic derivatives SYNTA PHARMACEUTICALS CORP. 2003-12-25 US disclosed
WO-2003072103-A1 SYNTHETIC DERIVATIVES KAVA PHARMACEUTICALS, INC. (US) 2003-09-04 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-20030236302-A1 Synthetic derivatives CBR1, CBR3, REL CTSS 2318/4885CTSK 3248/4885POLB 2247/4885

“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.