SCHEMBL5926727

SCHEMBL5926727

CC(C)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 7/20 0.52
▸ MMP9 P14780 4/20 0.52
▸ MMP1 P03956 1/20 0.52
▸ MMP3 P08254 1/20 0.52
▸ MMP7 P09237 1/20 0.52
▸ MMP13 P45452 1/20 0.52
▸ CCKAR P32238 2/20 0.51
▸ CCKBR P32239 2/20 0.51
▸ ITGB1 P05556 3/20 0.48
▸ ITGA4 P13612 3/20 0.48
▸ KCNA5 P22460 2/20 0.47
▸ KDM1A O60341 1/20 0.46
▸ METAP2 P50579 2/20 0.46
▸ ADAMTS4 O75173 1/20 0.46
▸ SLC10A2 Q12908 1/20 0.46
▸ SLC10A1 Q14973 1/20 0.46
▸ SLC10A6 Q3KNW5 1/20 0.46
▸ ADAMTS5 Q9UNA0 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
SCHEMBL5927388 0.93 MMP2 (0.60) MMP2MMP9MMP1MMP3MMP7
SCHEMBL4000600 0.89 ALDH1A1 (0.53) MMP2MMP9MMP1MMP3MMP7
SCHEMBL3980299 0.89 ALDH1A1 (0.53) MMP2MMP9MMP1MMP3MMP7
SCHEMBL5927349 0.88 SLC10A2 (0.51) MMP2MMP9MMP1MMP3MMP7
SCHEMBL5926865 0.88 ACLY (0.52) MMP2MMP9MMP1MMP3MMP7
SCHEMBL5926802 0.87 CA2 (0.52) MMP2MMP9MMP1MMP3MMP7
SCHEMBL5926768 0.87 MMP2 (0.51) MMP2MMP9MMP1MMP3MMP7
SCHEMBL5926732 0.86 KCNA5 (0.51) KCNA5KDM1AMETAP2ADAMTS4SLC10A2
SCHEMBL5926376 0.85 MMP2 (0.56) MMP2MMP9MMP1MMP3MMP7
SCHEMBL5927300 0.85 ITGB3 (0.49) MMP2MMP9MMP1MMP3MMP7

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-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. 2006-12-07 — — US disclosed
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 — — US disclosed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 — — 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-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 MMP2 258/4885MMP9 149/4885MMP1 1336/4885

“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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