SCHEMBL3085273

SCHEMBL3085273

COc1ccc(-c2ccc(S(=O)(=O)NCc3[nH]nnc3-c3ccccc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MAPT P10636 1/20 0.53
ALOX15B O15296 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
POLB P06746 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP19A1 P11511 1/20 0.48
GPR55 Q9Y2T6 1/20 0.46
MEP1B Q16820 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL3090320 0.73 ALDH1A1 (0.51) ALDH1A1MAPTKMT2ALMNAPOLB
SCHEMBL120702 0.72 ALDH1A1 (1.00) ALDH1A1LMNACYP3A4POLBTDP1
SCHEMBL28436569 0.72 PTGS2 (0.54) ALDH1A1MAPTKMT2ALMNAPOLB
SCHEMBL28631505 0.71 MAPT (0.55) ALDH1A1MAPTKMT2ALMNACYP3A4
SCHEMBL22234016 0.71 ALDH1A1 (0.74) ALDH1A1MAPTKMT2ALMNAPOLB
SCHEMBL3659182 0.70 ALDH1A1 (0.88) ALDH1A1LMNAPOLBCYP19A1
SCHEMBL8752437 0.69 PGR (0.78) ALDH1A1MAPTKMT2ALMNATDP1
SCHEMBL3087742 0.68 MMP2 (0.65) ALDH1A1MAPTLMNACYP3A4CYP2C9
SCHEMBL25242359 0.67 ALDH1A1 (0.67) ALDH1A1MAPTKMT2ALMNAPOLB
SCHEMBL3091468 0.67 MMP1 (0.49) ALDH1A1MAPTLMNACYP3A4GPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234378-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-09-16 US claimed
WO-2008024784-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2008-02-28 WO claimed
US-20100234378-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-09-16 US disclosed
US-20100234378-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-09-16 US disclosed
US-20100234378-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-09-16 US disclosed
WO-2008024784-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2008-02-28 WO 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-20100234378-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS MMP3, MMP11, MMP13 ALDH1A1 1417/4885MAPT 4416/4885ALOX15B 1666/4885

“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.