SCHEMBL4368940

SCHEMBL4368940

O=C(O)c1cccc(-c2cccc(O)c2C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.60
KMO O15229 2/20 0.55
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
CA7 P43166 1/20 0.53
CA14 Q9ULX7 1/20 0.53
ERN1 O75460 1/20 0.50
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
CA6 P23280 1/20 0.48
DDT P30046 1/20 0.48
PTGER1 P34995 1/20 0.47
KEAP1 Q14145 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
HSD17B14 Q9BPX1 1/20 0.46
TTR P02766 1/20 0.45

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
Biphenyl SCHEMBL5316961 0.97 KMO (0.61) FOLH1KMOCA12CA1CA2
SCHEMBL442496 0.86 KMO (0.63) FOLH1KMOCA12CA1CA2
SCHEMBL6710891 0.85 CA12 (0.57) FOLH1KMOCA12CA1CA2
SCHEMBL407375 0.84 KMO (0.56) FOLH1KMOCA12CA1CA2
Hydrochloric Acid SCHEMBL27574419 0.84 KMO (0.61) FOLH1KMOCA12CA1CA2
SCHEMBL3264678 0.83 CA12 (0.64) FOLH1CA12CA1CA2CA9
SCHEMBL17205336 0.83 KMO (0.51) FOLH1KMOCA12CA1CA2
SCHEMBL30509760 0.83 KMO (0.51) FOLH1KMOCA12CA1CA2
SCHEMBL28467375 0.83 FOLH1 (0.60) FOLH1KMORXRARXRBDDT
SCHEMBL2213546 0.81 KMO (0.73) FOLH1KMOCA12CA1CA2

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 14 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 disclosed
EP-1406867-B1 THIOLALKYL BENZOIC ACID DERIVATIVES GUILFORD PHARM INC (US) 2008-12-31 EP disclosed
US-7220780-B2 Naaladase inhibitors for treating retinal disorders and glaucoma GUILFORD PHARMACEUTICALS INC. (US) 2007-05-22 US disclosed
US-7138543-B2 Thiolalkyl benzoic acid derivatives GUILFORD PHARMACEUTICALS INC. (US) 2006-11-21 US disclosed
US-20040198824-A1 Thioalkyl benzoic acid derivatives GUILFORD PHARMACEUTICALS INC. 2004-10-07 US disclosed
US-20040186081-A1 Naaladase inhibitors for treating opioid tolerance GUILFORD PHARMACEUTICALS INC. 2004-09-23 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-1406867-A2 THIOLALKYL BENZOIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 2004-04-14 EP disclosed
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 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-2002096866-A2 THIOLALKYL BENZOIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 2002-12-05 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 (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 20/4885KMO 1422/4885CA12 681/4885
US-20030100607-A1 Mercaptoalkyl benzoic acid derivative are useful for inhibiting NAALADase (acetylated alpha-linked acidic dipeptidase/N-/) enzyme activity NAALAD2, DNPEP, ALDH7A1 FOLH1 14/4885KMO 1570/4885CA12 402/4885
US-20040186081-A1 Naaladase inhibitors for treating opioid tolerance OPRD1, OPRK1, OPRM1 FOLH1 254/4885KMO 414/4885CA12 1088/4885
US-20030036534-A1 Naaladase inhibitors for treating retinal disorders and glaucoma ALDH1A2, GAA, PDE6A FOLH1 124/4885KMO 2576/4885CA12 916/4885

“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.