SCHEMBL5054563

SCHEMBL5054563

CC(C)(C)c1cc(CC(CCCNC(=O)NO)C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 13/20 0.41
HDAC1 Q13547 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
NR1H4 Q96RI1 2/20 0.36
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL5054541 0.82 FOLH1 (0.61) FOLH1HDAC1
SCHEMBL14508874 0.82 PPARG (0.47) FOLH1PPARGPPARDPPARA
SCHEMBL2058581 0.81 FOLH1 (0.62) FOLH1
SCHEMBL5051176 0.80 FOLH1 (0.61) FOLH1
SCHEMBL5057905 0.78 FOLH1 (0.46) FOLH1
SCHEMBL5053197 0.78 FOLH1 (0.44) FOLH1HDAC1NR1H4PPARGPPARD
SCHEMBL6037768 0.78 FOLH1 (0.46) FOLH1HDAC1
SCHEMBL14508887 0.76 FOLH1 (0.41) FOLH1
SCHEMBL13996808 0.76 FOLH1 (0.46) FOLH1HDAC1
SCHEMBL5053244 0.75 FOLH1 (0.39) FOLH1MEN1KMT2APPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311037-A1 Compounds which bind PSMA and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-12-18 US disclosed
US-7220780-B2 Naaladase inhibitors for treating retinal disorders and glaucoma GUILFORD PHARMACEUTICALS INC. (US) 2007-05-22 US disclosed
US-7220780-B2 Naaladase inhibitors for treating retinal disorders and glaucoma GUILFORD PHARMACEUTICALS INC. (US) 2007-05-22 US disclosed
WO-2006093991-A1 COMPOUNDS WHICH BIND PSMA AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2006-09-08 WO disclosed
US-20060009525-A1 Hydroxamic acids and acyl hydroxamines as NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. 2006-01-12 US disclosed
US-6884907-B2 Hydroxamic acids and acyl hydroxamines as naaladase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2005-04-26 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-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL FOLH1 1/4885HDAC1 525/4885MEN1 1150/4885
US-20060009525-A1 Hydroxamic acids and acyl hydroxamines as NAALADase inhibitors RIMKLA, NAALAD2, NAAA FOLH1 5/4885HDAC1 8/4885MEN1 2677/4885

“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.