SCHEMBL4380757

SCHEMBL4380757

O=C(O)c1c(CCS)cccc1OCc1ccccc1-c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.74
FFAR1 O14842 3/20 0.48
FFAR4 Q5NUL3 3/20 0.48
PTGER1 P34995 5/20 0.47
PTGER4 P35408 5/20 0.47
PTGER3 P43115 5/20 0.47
PTGER2 P43116 5/20 0.47
MCL1 Q07820 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46

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
SCHEMBL4374230 0.85 FOLH1 (1.00) FOLH1MCL1
SCHEMBL4379752 0.85 FOLH1 (1.00) FOLH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL4373083 0.84 FOLH1 (0.74) FOLH1FFAR1FFAR4MCL1
SCHEMBL4370868 0.83 FOLH1 (1.00) FOLH1FFAR1FFAR4PTGER1PTGER4
SCHEMBL7041129 0.83 FOLH1 (0.72) FOLH1FFAR1FFAR4
SCHEMBL13954175 0.79 FOLH1 (0.69) FOLH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL4380794 0.79 FOLH1 (0.70) FOLH1
SCHEMBL2058308 0.79 FOLH1 (1.00) FOLH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL4370856 0.78 FOLH1 (0.78) FOLH1MCL1
SCHEMBL4377997 0.78 FOLH1 (0.81) FOLH1PTGER1PTGER4PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2025666-A2 Thiolalkyl benzoic acid derivatives MGI GP, Inc. (US) 2009-02-18 EP claimed
EP-1406867-B1 THIOLALKYL BENZOIC ACID DERIVATIVES GUILFORD PHARM INC (US) 2008-12-31 EP claimed
US-7220780-B2 Naaladase inhibitors for treating retinal disorders and glaucoma GUILFORD PHARMACEUTICALS INC. (US) 2007-05-22 US claimed
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-6740777-B2 MERCAPTOALKYL BENZOIC ACID DERIVATIVE ARE USEFUL FOR INHIBITING NAALADASE (ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE/N-/) ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. 2004-05-25 US claimed
US-20030100607-A1 Mercaptoalkyl benzoic acid derivative are useful for inhibiting NAALADase (acetylated alpha-linked acidic dipeptidase/N-/) enzyme activity EISAI INC. 2003-05-29 US claimed
EP-1292601-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2003-03-19 EP claimed
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma EISAI INC. 2003-02-20 US claimed
WO-2001092274-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO claimed
EP-2025666-A2 Thiolalkyl benzoic acid derivatives MGI GP, Inc. (US) 2009-02-18 EP disclosed
EP-2025666-A2 Thiolalkyl benzoic acid derivatives MGI GP, Inc. (US) 2009-02-18 EP disclosed
EP-1406867-B1 THIOLALKYL BENZOIC ACID DERIVATIVES GUILFORD PHARM INC (US) 2008-12-31 EP disclosed
EP-1406867-B1 THIOLALKYL BENZOIC ACID DERIVATIVES GUILFORD PHARM INC (US) 2008-12-31 EP disclosed
US-20080311037-A1 Compounds which bind PSMA and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-12-18 US disclosed
WO-2004078180-A2 NAALADASE INHIBITORS FOR TREATING OPIOID TOLERANCE GUILFORD PHARMACEUTICALS INC. (US) 2004-09-16 WO disclosed
US-6740777-B2 MERCAPTOALKYL BENZOIC ACID DERIVATIVE ARE USEFUL FOR INHIBITING NAALADASE (ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE/N-/) ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. 2004-05-25 US disclosed
EP-1292601-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2003-03-19 EP disclosed
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma EISAI INC. 2003-02-20 US 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 (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-20030100607-A1 Mercaptoalkyl benzoic acid derivative are useful for inhibiting NAALADase (acetylated alpha-linked acidic dipeptidase/N-/) enzyme activity NAALAD2, DNPEP, ALDH7A1 FOLH1 14/4885FFAR1 3263/4885FFAR4 3471/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL FOLH1 1/4885FFAR1 738/4885FFAR4 1354/4885
US-20040186081-A1 Naaladase inhibitors for treating opioid tolerance OPRD1, OPRK1, OPRM1 FOLH1 254/4885FFAR1 3630/4885FFAR4 3136/4885
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma ALDH1A2, GAA, PDE6A FOLH1 124/4885FFAR1 3621/4885FFAR4 3780/4885

“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.