SCHEMBL13778181

SCHEMBL13778181

CC(C)(C)c1ccc(CCSCC(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 1/20 0.61
▸ MMP13 P45452 1/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ SLC13A5 Q86YT5 2/20 0.51
▸ CES1 P23141 1/20 0.49
▸ NR1H4 Q96RI1 5/20 0.48
▸ EPHX2 P34913 2/20 0.48
▸ ESRRG P62508 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RXRA P19793 1/20 0.45
▸ RXRB P28702 1/20 0.45
▸ RXRG P48443 1/20 0.45
▸ ESRRB O95718 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL13778182 0.85 NR1H4 (0.54) MMP12MMP13SLC13A5NR1H4EPHX2
SCHEMBL13778155 0.83 HTT (0.56) SMN1; SMN2SLC13A5NR1H4EPHX2LMNA
SCHEMBL13870214 0.81 MMP12 (0.67) MMP12MMP13SMN1; SMN2TSHRCES1
SCHEMBL4574068 0.80 MMP12 (0.82) MMP12MMP13SMN1; SMN2TSHRCES1
SCHEMBL13273688 0.79 MMP12 (0.69) MMP12MMP13SMN1; SMN2TSHRCES1
SCHEMBL846131 0.77 NR1H4 (0.71) SLC13A5NR1H4EPHX2ESRRGRXRA
SCHEMBL13778147 0.76 CYP2C19 (0.56) SMN1; SMN2CES1ESRRGRAB9ANPC1
SCHEMBL5069416 0.75 MMP12 (0.64) MMP12MMP13SMN1; SMN2TSHRCES1
SCHEMBL1453852 0.74 NR1H4 (0.73) SMN1; SMN2TSHRSLC13A5NR1H4EPHX2
SCHEMBL13778164 0.73 CYP2C19 (0.64) SMN1; SMN2SLC13A5NR1H4EPHX2RXRA

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-20090170911-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO. INC (JP) 2009-07-02 — — US disclosed
US-20090170911-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO. INC (JP) 2009-07-02 — — 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-20090170911-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 MMP12 3504/4885MMP13 4094/4885SMN1; SMN2 4589/4885

“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.

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