SCHEMBL3537912

SCHEMBL3537912

COCCOc1ccc2c(c1)CCN(S(=O)(=O)c1ccc(Oc3ccc(F)cc3)cc1)C2(C(N)=O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.37
▸ PPARA Q07869 5/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37
▸ TUBB2A Q13885 1/20 0.37
▸ TUBB8 Q3ZCM7 1/20 0.37
▸ TUBA3E Q6PEY2 1/20 0.37
▸ TUBA1A Q71U36 1/20 0.37
▸ TUBA1C Q9BQE3 1/20 0.37
▸ TUBB6 Q9BUF5 1/20 0.37
▸ TUBB2B Q9BVA1 1/20 0.37
▸ TUBB1 Q9H4B7 1/20 0.37
▸ PPARD Q03181 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ RORC P51449 3/20 0.35

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
SCHEMBL3535912 0.89 LSS (0.38) PPARGPPARAPPARDMAPTS1PR2
SCHEMBL3538685 0.86 LCK (0.45) KDM4EALDH1A1SMN1; SMN2
SCHEMBL3537108 0.84 TBXAS1 (0.41) KDM4EALDH1A1
SCHEMBL3536043 0.83 MMP1 (0.44) MAPTMMP1MMP13ADAM17ALDH1A1
SCHEMBL3534117 0.83 MMP1 (0.40) PPARGPPARAMAPTMMP1MMP2
SCHEMBL3537088 0.74 LTA4H (0.43) KDM4ESMN1; SMN2
SCHEMBL1019183 0.74 MMP1 (0.52) MMP1MMP2MMP3MMP13MMP7
SCHEMBL1019184 0.72 MMP1 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3532216 0.71 MMP1 (0.51) MMP1MMP2MMP3MMP13MMP7
SCHEMBL3537910 0.70 MMP1 (0.63) MMP1MMP2MMP3MMP13MMP7

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-7858619-B2 Substituted tetrahydroisochinolines as MMP inhibitors, related production method and use as medicine SANOFI-AVENTIS (FR) 2010-12-28 — — US disclosed
US-20080090821-A1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE SANOFI-AVENTIS (FR) 2008-04-17 — — 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-20080090821-A1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE MMP9, MMP3, MMP2 PPARG 3358/4885PPARA 3808/4885TUBB4A 1459/4885

“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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