SCHEMBL4370868

SCHEMBL4370868

O=C(O)c1c(CCS)cccc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 10/20 1.00
KMT2A Q03164 1/20 0.49
PTGER1 P34995 2/20 0.46
PTGER4 P35408 2/20 0.46
PTGER3 P43115 2/20 0.46
PTGER2 P43116 2/20 0.46
DPP4 P27487 1/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
HNF4A P41235 1/20 0.42
BID P55957 1/20 0.42
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
BAK1 Q16611 1/20 0.42
FFAR1 O14842 3/20 0.40
FFAR4 Q5NUL3 3/20 0.40

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
SCHEMBL4378898 0.89 FOLH1 (1.00) FOLH1KMT2A
SCHEMBL13979828 0.87 FOLH1 (0.77) FOLH1KMT2APTGER1PTGER4PTGER3
SCHEMBL17509732 0.87 FOLH1 (0.77) FOLH1KMT2APTGER1PTGER4PTGER3
SCHEMBL2058472 0.86 FOLH1 (1.00) FOLH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL8949856 0.86 FOLH1 (0.76) FOLH1KMT2APTGER1PTGER4PTGER3
SCHEMBL25171586 0.83 FOLH1 (0.71) FOLH1KMT2APTGER1PTGER4PTGER3
SCHEMBL28036728 0.83 FOLH1 (0.71) FOLH1KMT2APTGER1PTGER4PTGER3
SCHEMBL4380757 0.83 FOLH1 (0.74) FOLH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL14508902 0.83 FOLH1 (0.82) FOLH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL8872410 0.82 FOLH1 (0.70) FOLH1KMT2APTGER1PTGER4PTGER3

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 11 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
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 14/4885KMT2A 2263/4885PTGER1 2309/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL FOLH1 1/4885KMT2A 1052/4885PTGER1 1194/4885

“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.