SCHEMBL2058581

SCHEMBL2058581

CC(C)(C)c1cc(CC(CCCS)C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 18/20 0.62

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
SCHEMBL14508874 0.88 PPARG (0.47) FOLH1
SCHEMBL5051236 0.87 FOLH1 (0.74) FOLH1
SCHEMBL5057905 0.87 FOLH1 (0.46) FOLH1
SCHEMBL14508887 0.82 FOLH1 (0.41) FOLH1
SCHEMBL5053104 0.81 FOLH1 (0.65) FOLH1
SCHEMBL5054541 0.81 FOLH1 (0.61) FOLH1
SCHEMBL5054563 0.81 FOLH1 (0.41) FOLH1
SCHEMBL5057981 0.81 FOLH1 (0.61) FOLH1
SCHEMBL5060115 0.80 FOLH1 (0.67) FOLH1
SCHEMBL5051176 0.78 FOLH1 (0.61) FOLH1

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6586623-B2 Carbocyclic mercaptans such as 3-carboxy-alpha-(3-mercapto-propyl) benzenepropanoic acid, used as N-acetylated alpha-linked acidic dipeptidase(NAALADase) inhibitors and for medical diadnosis GUILFORD PHARMACEUTICALS INC. 2003-07-01 US 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-7968593-B2 Thiolactones EISAI INC. (US) 2011-06-28 US disclosed
US-20100048667-A1 Thiolactones EISAI INC. 2010-02-25 US disclosed
US-7553866-B2 3-(2-Oxo-tetrahydrothiopyran-3-yl)propionic acid; inhibiting the prostrate specific antigen;angiogenesis inhibition; compulsive disorder, neuropathy, analgesics, anticarcinogenic agents; Huntinton's disease; antidiabetic agents; retinopathy; gluacoma; effecting transforming growth factor, glutamate EISAI CORPORATION OF NORTH AMERICA (US) 2009-06-30 US disclosed
EP-1599461-B1 THIOLACTONES AS NAALADase INHIBITORS EISAI CORP NORTH AMERICA (US) 2009-06-10 EP disclosed
EP-2025666-A2 Thiolalkyl benzoic acid derivatives MGI GP, Inc. (US) 2009-02-18 EP disclosed
US-20080311037-A1 Compounds which bind PSMA and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-12-18 US disclosed
EP-1988088-A1 Thiolactones GUILFORD PHARMACEUTICALS INC. (US) 2008-11-05 EP disclosed
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma EISAI INC. 2003-02-20 US disclosed
WO-2002096866-A2 THIOLALKYL BENZOIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 2002-12-05 WO disclosed
WO-2002092553-A1 HYDROXAMIC ACIDS AND ACYL HYDROXAMINES AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2002-11-21 WO disclosed
WO-2002057222-A2 THIOL-BASED NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2002-07-25 WO disclosed
US-20020013295-A1 Naaladase inhibitors for treating amyotrophic lateral sclerosis GUILFORD PHARMACEUTICALS INC., A DELAWARE CORPORATION 2002-01-31 US disclosed
WO-2001091738-A2 NAALADASE INHIBITORS FOR TREATING AMYOTROPHIC LATERAL SCLEROSIS GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO disclosed
WO-2001092274-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 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 (6 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-20020013295-A1 Naaladase inhibitors for treating amyotrophic lateral sclerosis SMN1; SMN2, GAA, NAALAD2 FOLH1 432/4885
US-20030216468-A1 Thiol-based NAALADase inhibitors NAALAD2, GLUL, RIMKLA FOLH1 6/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL FOLH1 1/4885
US-20030105088-A1 Thiol-based NAALADase inhibitors NAALAD2, GLUL, RIMKLA FOLH1 6/4885
US-20100048667-A1 Thiolactones RIMKLA, ALDH1A2, GGT1 FOLH1 9/4885
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma ALDH1A2, GAA, PDE6A FOLH1 124/4885

“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.