SCHEMBL25260321

SCHEMBL25260321

Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.55
STS P08842 6/20 0.53
KMT2A Q03164 3/20 0.53
LIMK2 P53671 1/20 0.51
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
SFRP1 Q8N474 1/20 0.47
MEN1 O00255 2/20 0.47
GPR119 Q8TDV5 2/20 0.46
CCR8 P51685 1/20 0.46
EPHX2 P34913 1/20 0.45

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
SCHEMBL22773317 1.00 MMP13 (0.55) MMP13STSKMT2ALIMK2KDM4E
SCHEMBL22773318 1.00 MMP13 (0.55) MMP13STSKMT2ALIMK2KDM4E
SCHEMBL22491579 0.91 KMT2A (0.53) MMP13STSKMT2ALIMK2SFRP1
SCHEMBL23211970 0.91 STS (0.52) MMP13STSKMT2ALIMK2MEN1
SCHEMBL22491580 0.91 KMT2A (0.53) MMP13STSKMT2ALIMK2SFRP1
SCHEMBL23211969 0.91 STS (0.52) MMP13STSKMT2ALIMK2MEN1
SCHEMBL23211953 0.89 STS (0.48) MMP13STSKMT2ASFRP1MEN1
SCHEMBL23211955 0.89 STS (0.48) MMP13STSKMT2ASFRP1MEN1
SCHEMBL30149804 0.89 STS (0.48) MMP13STSKMT2ASFRP1MEN1
SCHEMBL23211799 0.87 POLB (0.45) KMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 US disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 EP disclosed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 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 (2 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-20220098176-A1 HETEROCYCLIC COMPOUNDS CBR3, BRIX1, CCNY MMP13 4059/4885STS 1021/4885KMT2A 2194/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY MMP13 4059/4885STS 1021/4885KMT2A 2194/4885

“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.