SCHEMBL8189628

SCHEMBL8189628

CCc1c(-c2ccccc2)sc2nc(C(=O)O)[nH]c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.43
▸ LMNA P02545 3/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ KDM4E B2RXH2 5/20 0.41
▸ HPGD P15428 4/20 0.41
▸ GAA P10253 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 6/20 0.39
▸ DHFR P00374 1/20 0.39
▸ TYMS P04818 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL11737952 0.84 ALDH1A1 (0.48) ALDH1A1LMNARXFP1KDM4EHPGD
SCHEMBL8197522 0.80 KDM4E (0.56) ALDH1A1LMNARXFP1KDM4EHPGD
SCHEMBL14882278 0.80 XDH (0.46) ALDH1A1LMNARXFP1KDM4EHPGD
SCHEMBL13343736 0.78 RXFP1 (0.56) ALDH1A1LMNARXFP1KDM4EHPGD
SCHEMBL8189689 0.77 ALDH1A1 (0.70) ALDH1A1LMNARXFP1KDM4EHPGD
SCHEMBL11737959 0.74 ALDH1A1 (0.46) ALDH1A1LMNARXFP1KDM4EHPGD
SCHEMBL8197785 0.72 ALDH1A1 (0.56) ALDH1A1LMNAKDM4EHPGDGAA
SCHEMBL8198913 0.72 TNKS (0.42) ALDH1A1LMNARXFP1KDM4EHPGD
SCHEMBL11492761 0.71 ALDH1A1 (0.54) ALDH1A1LMNAKDM4EHPGDGAA
SCHEMBL11546703 0.71 TNKS2 (0.46) ALDH1A1RXFP1KDM4EHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 — — US disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 — — US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 — — US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 — — US disclosed
WO-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 — — 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-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1871/4885LMNA 2606/4885RXFP1 4359/4885

“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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