SCHEMBL4367623

SCHEMBL4367623

O=C(O)c1ccc(Br)c(CS)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.48
DCLRE1A Q6PJP8 1/20 0.42
DCLRE1B Q9H816 1/20 0.42
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
PTGS2 P35354 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL1176410 0.82 ALDH1A1 (0.50) FOLH1HTTHPGDTDP1TSHR
SCHEMBL976882 0.82 FOLH1 (0.46) FOLH1HTTHPGDTDP1TSHR
SCHEMBL3893054 0.82 FOLH1 (0.43) FOLH1HTTHPGDTDP1TSHR
SCHEMBL16692408 0.82 FOLH1 (0.52) FOLH1DCLRE1ADCLRE1BTSHRTP53
SCHEMBL4812572 0.81 TSHR (0.44) FOLH1HTTHPGDTDP1TSHR
SCHEMBL2522215 0.81 FOLH1 (0.42) FOLH1HTTHPGDTDP1TSHR
SCHEMBL27785149 0.81 FOLH1 (0.45) FOLH1HTTHPGDTDP1TSHR
SCHEMBL21821473 0.81 FOLH1 (0.42) FOLH1HTTHPGDTDP1TSHR
SCHEMBL2234436 0.79 FOLH1 (0.44) FOLH1HTTHPGDTDP1TSHR
SCHEMBL21821510 0.78 APEX1 (0.44) FOLH1HTTHPGDTDP1KDM4E

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 26 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-7138543-B2 Thiolalkyl benzoic acid derivatives GUILFORD PHARMACEUTICALS INC. (US) 2006-11-21 US claimed
US-20040198824-A1 Thioalkyl benzoic acid derivatives GUILFORD PHARMACEUTICALS INC. 2004-10-07 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
EP-1406867-A2 THIOLALKYL BENZOIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 2004-04-14 EP 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-2002096866-A2 THIOLALKYL BENZOIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 2002-12-05 WO 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
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-20040198824-A1 Thioalkyl benzoic acid derivatives ALDH1A2, ALDH7A1, NAALAD2 FOLH1 20/4885DCLRE1A 2338/4885DCLRE1B 2786/4885
US-20030100607-A1 Mercaptoalkyl benzoic acid derivative are useful for inhibiting NAALADase (acetylated alpha-linked acidic dipeptidase/N-/) enzyme activity NAALAD2, DNPEP, ALDH7A1 FOLH1 14/4885DCLRE1A 1019/4885DCLRE1B 1914/4885
US-20040186081-A1 Naaladase inhibitors for treating opioid tolerance OPRD1, OPRK1, OPRM1 FOLH1 254/4885DCLRE1A 4544/4885DCLRE1B 2180/4885
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma ALDH1A2, GAA, PDE6A FOLH1 124/4885DCLRE1A 3165/4885DCLRE1B 1243/4885

“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.