SCHEMBL6179534

SCHEMBL6179534

COc1cc(C(=O)NCc2ccc3c(c2)OCO3)sc1C(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.65
HPGD P15428 3/20 0.64
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
ALDH1A1 P00352 4/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.59
MAPK1 P28482 2/20 0.58
KMT2A Q03164 2/20 0.57
USP2 O75604 1/20 0.57
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL6179510 0.81 LMNA (0.83) HPGDKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL11301261 0.77 PKM (0.64) PKMHPGDKDM4ESMN1; SMN2ALDH1A1
SCHEMBL31313264 0.76 PKM (0.67) PKMHPGDLMNAALDH1A1MAPK1
SCHEMBL5338096 0.76 PKM (0.77) PKMHPGDLMNAALDH1A1MAPT
SCHEMBL6787010 0.76 LMNA (0.76) PKMHPGDKDM4ELMNASMN1; SMN2
SCHEMBL1038950 0.76 ALDH1A1 (0.70) PKMHPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL13435824 0.76 PKM (0.65) PKMHPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL14184696 0.75 HPGD (0.60) PKMHPGDKDM4ELMNASMN1; SMN2
SCHEMBL14641630 0.75 HPGD (0.69) PKMHPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL5335876 0.74 PKM (0.70) PKMHPGDLMNASMN1; SMN2ALDH1A1

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
EP-1291345-B1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
US-6924276-B2 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-08-02 US disclosed
US-20030087924-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors SORENSON RODERICK JOSEPH (US) 2003-05-08 US disclosed
EP-1291345-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2003-03-12 EP disclosed
EP-1291345-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2003-03-12 EP 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-20030087924-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP3, MMP9 PKM 3174/4885HPGD 187/4885KDM4E 1800/4885

“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.