SCHEMBL2609220

SCHEMBL2609220

Cc1ccc(S(=O)(=O)[C@@H]2C[C@@H](C(=O)O)N(C)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
ELOVL6 Q9H5J4 1/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CTSS P25774 1/20 0.41
MMP2 P08253 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LIPE Q05469 1/20 0.38

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
SCHEMBL17505844 0.84 CTSS (0.45) POLBCA1CA2ELOVL6TSHR
SCHEMBL2609216 0.79 ACHE (0.44) POLBELOVL6TSHRMMP2SMN1; SMN2
SCHEMBL989406 0.79 ALDH1A1 (0.51) POLBCA1CA2ELOVL6TSHR
SCHEMBL3061404 0.75 CTSS (0.54) CTSS
SCHEMBL30393372 0.74 ALDH1A1 (0.61) CA1CA2ELOVL6TSHRALDH1A1
SCHEMBL23613673 0.73 ATM (0.35)
SCHEMBL28664104 0.72 TSHR (0.63) POLBCA1CA2ELOVL6TSHR
SCHEMBL27972231 0.72 ADAM17 (0.53) ALDH1A1CTSSMMP2KMT2A
SCHEMBL7510461 0.72 MMP13 (0.53) ELOVL6TSHRALDH1A1MMP2MEN1
SCHEMBL23630457 0.71 POLB (0.61) POLBTSHRALDH1A1MMP2KMT2A

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-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 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-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 POLB 3726/4885CA1 3159/4885CA2 3837/4885

“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.