SCHEMBL4824690

SCHEMBL4824690

O=C(O)CC(NC(=O)c1cc(Br)ccc1O)c1ccc(-c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 3/20 0.51
▸ EGLN2 Q96KS0 5/20 0.47
▸ EGLN1 Q9GZT9 5/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MMP12 P39900 2/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ FNTA P49354 1/20 0.43
▸ FNTB P49356 1/20 0.43
▸ MMP3 P08254 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ ACACB O00763 1/20 0.42
▸ ACACA Q13085 1/20 0.42

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
SCHEMBL4824874 0.91 POLB (0.49) CTSAEGLN2EGLN1ALDH1A1LMNA
SCHEMBL5927665 0.83 POLB (0.53) CTSAALDH1A1LMNAMAPK1
SCHEMBL5927222 0.81 CTSA (0.44) CTSAEGLN2EGLN1ALDH1A1LMNA
SCHEMBL4827853 0.81 MME (0.47) —
SCHEMBL4824681 0.81 MME (0.47) —
SCHEMBL3992792 0.81 POLB (0.46) CTSAALDH1A1LMNAMAPK1
SCHEMBL5926489 0.81 CTSA (0.43) CTSAEGLN2EGLN1ALDH1A1LMNA
SCHEMBL5927560 0.81 LRRK2 (0.49) CTSAALDH1A1LMNAMAPK1ACACB
SCHEMBL5926784 0.79 CTSA (0.60) CTSAALDH1A1LMNAMAPK1MMP12
SCHEMBL6098336 0.79 MMP12 (0.60) CTSAMMP12MMP13

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-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 — — US disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — 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-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO CTSA 1878/4885EGLN2 76/4885EGLN1 160/4885

“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.

Send feedback