SCHEMBL5054573

SCHEMBL5054573

O=C(CC(S)CCC(Cc1cc(Oc2ccccc2)cc(C(=O)O)c1)C(=O)O)NO

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.50
MMP1 P03956 2/20 0.38
EPHX2 P34913 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
AKR1C3 P42330 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
MME P08473 1/20 0.37
LTA4H P09960 1/20 0.37
ANPEP P15144 1/20 0.37
ECE1 P42892 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
SCHEMBL5059709 0.88 FOLH1 (0.51) FOLH1PPARG
SCHEMBL5051254 0.84 FOLH1 (0.53) FOLH1MMELTA4HANPEPECE1
SCHEMBL5051349 0.82 FOLH1 (0.51) FOLH1MMELTA4HANPEPECE1
SCHEMBL5053236 0.82 FOLH1 (0.75) FOLH1ANPEP
SCHEMBL7041247 0.80 FOLH1 (0.42) FOLH1MMP1EPHX2PPARGPPARA
SCHEMBL5054570 0.80 FOLH1 (0.46) FOLH1MMP1EPHX2PPARGPPARA
SCHEMBL5060105 0.79 FOLH1 (0.64) FOLH1PPARGAKR1C3
SCHEMBL5057866 0.75 FOLH1 (0.72) FOLH1ANPEP
SCHEMBL6684906 0.75 FOLH1 (0.54) FOLH1MMP1MMELTA4HANPEP
SCHEMBL5054576 0.73 FOLH1 (0.48) FOLH1MMELTA4HANPEPECE1

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-20040186081-A1 Naaladase inhibitors for treating opioid tolerance GUILFORD PHARMACEUTICALS INC. 2004-09-23 US claimed
WO-2004078180-A2 NAALADASE INHIBITORS FOR TREATING OPIOID TOLERANCE GUILFORD PHARMACEUTICALS INC. (US) 2004-09-16 WO claimed
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma EISAI INC. 2003-02-20 US claimed
US-20080311037-A1 Compounds which bind PSMA and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-12-18 US disclosed
US-7220780-B2 Naaladase inhibitors for treating retinal disorders and glaucoma GUILFORD PHARMACEUTICALS INC. (US) 2007-05-22 US disclosed
US-6884907-B2 Hydroxamic acids and acyl hydroxamines as naaladase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2005-04-26 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 (3 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-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL FOLH1 1/4885MMP1 1631/4885EPHX2 2275/4885
US-20040186081-A1 Naaladase inhibitors for treating opioid tolerance OPRD1, OPRK1, OPRM1 FOLH1 254/4885MMP1 3376/4885EPHX2 721/4885
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma ALDH1A2, GAA, PDE6A FOLH1 124/4885MMP1 819/4885EPHX2 750/4885

“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.