SCHEMBL6859145

SCHEMBL6859145

CC(=O)S[C@H]1C[C@H](COCc2ccccc2)N(S(=O)(=O)c2ccc3ccccc3c2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 5/20 0.41
MMP9 P14780 2/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP13 P45452 1/20 0.40
AKR1C3 P42330 3/20 0.39
AKR1C1 Q04828 1/20 0.39
ELANE P08246 1/20 0.39
ECE1 P42892 6/20 0.39
MME P08473 2/20 0.39
ACE P12821 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LOX P28300 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
SCHEMBL7688651 1.00 CCR4 (0.41) CCR4MMP9MMP1MMP2MMP3
SCHEMBL5401094 0.89 PLAU (0.41) CCR4MMP9MMP1MMP2MMP3
SCHEMBL5403770 0.89 PLAU (0.41) CCR4MMP9MMP1MMP2MMP3
SCHEMBL5401090 0.89 PLAU (0.41) CCR4MMP9MMP1MMP2MMP3
SCHEMBL7684327 0.88 CASP3 (0.43) CCR4AKR1C3AKR1C1ECE1MME
SCHEMBL6859192 0.88 CASP3 (0.43) CCR4AKR1C3AKR1C1ECE1MME
SCHEMBL5401022 0.84 MMP9 (0.44) CCR4MMP9MMP1MMP2MMP3
SCHEMBL5412857 0.83 MMP1 (0.43) CCR4MMP9MMP1MMP2MMP3
SCHEMBL5421525 0.81 MMP9 (0.41) CCR4MMP9MMP1MMP2MMP3
SCHEMBL5401021 0.81 MMP9 (0.41) CCR4MMP9MMP1MMP2MMP3

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-6790860-B2 USEFUL AS INHIBITORS OF METALLOPROTEASES, E.G. ZINC PROTEASES; EFFECTIVE IN TREATING DISEASE STATES ASSOCIATED WITH VASOCONSTRICTION HOFFMANN-LA ROCHE INC. 2004-09-14 US disclosed
US-20030199569-A1 Pyrrolidine derivatives AEBI JOHANNES (CH) 2003-10-23 US disclosed
US-20020040146-A1 Pyrrolidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2002-04-04 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-20030199569-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 CCR4 1718/4885MMP9 35/4885MMP1 22/4885
US-20020040146-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 CCR4 1718/4885MMP9 35/4885MMP1 22/4885

“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.