SCHEMBL5053174

SCHEMBL5053174

O=C(O)C(CCCS)(Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
HIF1A Q16665 1/20 0.47
FOLH1 Q04609 2/20 0.44
ARG1 P05089 1/20 0.42
ARG2 P78540 1/20 0.42
AMPD3 Q01432 1/20 0.40
PTPN1 P18031 3/20 0.39
PTPN2 P17706 2/20 0.39
PTPRB P23467 2/20 0.39
PTPRC P08575 1/20 0.39
PTPRG P23470 1/20 0.39
ACP1 P24666 1/20 0.39
FDPS P14324 1/20 0.38
HDAC3 O15379 6/20 0.38
HDAC4 P56524 6/20 0.38
HDAC1 Q13547 6/20 0.38
HDAC7 Q8WUI4 6/20 0.38
HDAC2 Q92769 6/20 0.38
HDAC10 Q969S8 6/20 0.38
HDAC11 Q96DB2 6/20 0.38

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
SCHEMBL5051190 0.90 SMN1; SMN2 (0.46) SMN1; SMN2HIF1AFOLH1ARG1ARG2
SCHEMBL28003878 0.82 SMN1; SMN2 (0.47) SMN1; SMN2HIF1AARG1ARG2PTPN1
SCHEMBL7212876 0.81 CYP1A2 (0.42) FOLH1AMPD3HDAC4HDAC2HDAC8
SCHEMBL31147036 0.81 SMN1; SMN2 (0.46) SMN1; SMN2HIF1AARG1ARG2AMPD3
SCHEMBL338742 0.80 SMN1; SMN2 (0.61) SMN1; SMN2HIF1AARG1ARG2PTPN1
SCHEMBL7008212 0.79 MMP1 (0.47) SMN1; SMN2HIF1AARG1ARG2CES2
SCHEMBL5051288 0.79 SMN1; SMN2 (0.44) SMN1; SMN2HIF1AFOLH1ARG1ARG2
SCHEMBL21269594 0.78 SMN1; SMN2 (0.59) SMN1; SMN2HIF1AARG1ARG2PTPN1
SCHEMBL21268824 0.78 SMN1; SMN2 (0.59) SMN1; SMN2HIF1AARG1ARG2PTPN1
SCHEMBL21269769 0.78 SMN1; SMN2 (0.59) SMN1; SMN2HIF1AARG1ARG2PTPN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6992215-B2 Thiol-based NAALADase inhibitors GUILDFORD PHARMACEUTICALS INC. (US) 2006-01-31 US claimed
US-20050085503-A1 Thiol-based NAALADase inhibitors GUILFORD PHARMACEUTICALS INC, 2005-04-21 US claimed
WO-2002057222-A9 THIOL-BASED NAALADASE INHIBITORS GUILFORD PHARM INC (US) 2004-05-06 WO claimed
US-20030216468-A1 Thiol-based NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. 2003-11-20 US claimed
EP-1353903-A2 THIOL-BASED NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2003-10-22 EP claimed
US-20030105088-A1 Thiol-based NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. 2003-06-05 US claimed
WO-2002057222-A2 THIOL-BASED NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2002-07-25 WO claimed
US-20080311037-A1 Compounds which bind PSMA and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-12-18 US disclosed
WO-2006093991-A1 COMPOUNDS WHICH BIND PSMA AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2006-09-08 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-20030216468-A1 Thiol-based NAALADase inhibitors NAALAD2, GLUL, RIMKLA SMN1; SMN2 2613/4885HIF1A 947/4885FOLH1 6/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL SMN1; SMN2 3363/4885HIF1A 464/4885FOLH1 1/4885
US-20030105088-A1 Thiol-based NAALADase inhibitors NAALAD2, GLUL, RIMKLA SMN1; SMN2 2613/4885HIF1A 947/4885FOLH1 6/4885
US-20050085503-A1 Thiol-based NAALADase inhibitors NAALAD2, GLUL, FOLH1 SMN1; SMN2 2759/4885HIF1A 825/4885FOLH1 3/4885

“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.