SCHEMBL5053134

SCHEMBL5053134

O=C(NCc1ccccc1)c1cccc(CC(CCCS)C(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 12/20 0.71
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
PPARG P37231 3/20 0.53
EPHX2 P34913 1/20 0.53
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CFD P00746 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL5051317 0.88 FOLH1 (0.71) FOLH1PPARGEPHX2ALDH1A1HSD17B10
SCHEMBL2058464 0.83 FOLH1 (1.00) FOLH1
SCHEMBL5054359 0.79 FOLH1 (1.00) FOLH1
SCHEMBL5058027 0.78 FOLH1 (0.75) FOLH1
SCHEMBL25357348 0.77 SLC7A5 (0.71) HDAC2HDAC8HDAC6PPARGEPHX2
SCHEMBL25357353 0.77 SLC7A5 (0.71) HDAC2HDAC8HDAC6PPARGEPHX2
SCHEMBL1927715 0.77 HDAC2 (0.64) HDAC2HDAC8HDAC6PPARGEPHX2
SCHEMBL5054784 0.77 FOLH1 (0.85) FOLH1
SCHEMBL22047184 0.76 PPARG (0.78) HDAC2HDAC8HDAC6PPARGEPHX2
SCHEMBL11900328 0.76 HDAC6 (0.87) HDAC2HDAC8HDAC6PPARGEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6992215-B2 Thiol-based NAALADase inhibitors GUILDFORD PHARMACEUTICALS INC. (US) 2006-01-31 US claimed
US-20050085503-A1 Thiol-based NAALADase inhibitors GUILFORD PHARMACEUTICALS INC, 2005-04-21 US claimed
WO-2002057222-A9 THIOL-BASED NAALADASE INHIBITORS GUILFORD PHARM INC (US) 2004-05-06 WO claimed
US-20030216468-A1 Thiol-based NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. 2003-11-20 US claimed
EP-1353903-A2 THIOL-BASED NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2003-10-22 EP claimed
US-20030105088-A1 Thiol-based NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. 2003-06-05 US claimed
WO-2002057222-A2 THIOL-BASED NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2002-07-25 WO claimed
US-20080311037-A1 Compounds which bind PSMA and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-12-18 US disclosed
WO-2006093991-A1 COMPOUNDS WHICH BIND PSMA AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2006-09-08 WO disclosed
US-6812364-B2 CENTRAL NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; ANTICANCER AGENTS GUILFORD PHARMACEUTICALS INC. 2004-11-02 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 (4 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-20030216468-A1 Thiol-based NAALADase inhibitors NAALAD2, GLUL, RIMKLA FOLH1 6/4885HDAC2 2849/4885HDAC8 1337/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL FOLH1 1/4885HDAC2 2797/4885HDAC8 1218/4885
US-20030105088-A1 Thiol-based NAALADase inhibitors NAALAD2, GLUL, RIMKLA FOLH1 6/4885HDAC2 2849/4885HDAC8 1337/4885
US-20050085503-A1 Thiol-based NAALADase inhibitors NAALAD2, GLUL, FOLH1 FOLH1 3/4885HDAC2 3054/4885HDAC8 1591/4885

“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.