SCHEMBL4377625

SCHEMBL4377625

O=C(O)c1cccc(COc2cccc(CCS)c2C(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 1.00
MRGPRX4 Q96LA9 13/20 0.57
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
MITF O75030 1/20 0.57
TP53 P04637 1/20 0.57
HPGD P15428 1/20 0.57
XBP1 P17861 1/20 0.57
NFKB1 P19838 1/20 0.57
RAB9A P51151 1/20 0.57
NFKB2 Q00653 1/20 0.57
KMT2A Q03164 1/20 0.57
RELA Q04206 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL4379752 0.88 FOLH1 (1.00) FOLH1
SCHEMBL2058308 0.87 FOLH1 (1.00) FOLH1HPGD
SCHEMBL4369851 0.86 FOLH1 (0.77) FOLH1MRGPRX4MEN1NPC1MITF
SCHEMBL4368704 0.86 FOLH1 (0.77) FOLH1MRGPRX4SMN1; SMN2
SCHEMBL4373069 0.86 FOLH1 (0.75) FOLH1MRGPRX4MEN1NPC1MITF
SCHEMBL13979858 0.83 FOLH1 (0.71) FOLH1MRGPRX4NPC1TP53XBP1
SCHEMBL4378845 0.83 FOLH1 (0.71) FOLH1MRGPRX4
SCHEMBL13954175 0.82 FOLH1 (0.69) FOLH1MRGPRX4MEN1NPC1MITF
SCHEMBL4368048 0.82 FOLH1 (0.69) FOLH1MRGPRX4
SCHEMBL4379735 0.82 FOLH1 (0.69) FOLH1MRGPRX4

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 12 patents. 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-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-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
US-7138543-B2 Thiolalkyl benzoic acid derivatives GUILFORD PHARMACEUTICALS INC. (US) 2006-11-21 US disclosed
WO-2006093991-A1 COMPOUNDS WHICH BIND PSMA AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2006-09-08 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 14/4885MRGPRX4 2900/4885MEN1 3943/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL FOLH1 1/4885MRGPRX4 1296/4885MEN1 1150/4885

“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.