SCHEMBL5054341

SCHEMBL5054341

COc1cccc(NCC(C(CCC(=O)O)C(=O)O)[PH](=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 4/20 0.44
MTNR1A P48039 3/20 0.44
USP2 O75604 1/20 0.43
CCKBR P32239 2/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 5/20 0.41
MITF O75030 1/20 0.41
CASR P41180 1/20 0.41
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
EGFR P00533 1/20 0.40
ERBB3 P21860 1/20 0.40
NLRP3 Q96P20 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 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
SCHEMBL5059934 0.86 FFAR1 (0.46) RAB9AGAAMEN1KMT2A
SCHEMBL5133548 0.85 MAPT (0.39) CCKBRRAB9ANPC1GAAMEN1
SCHEMBL5057825 0.84 CYP3A4 (0.37) USP2NPC1GAANLRP3TSHR
SCHEMBL7050812 0.84 AKR1C3 (0.45) RAB9ANPC1CASRMEN1KMT2A
SCHEMBL5052977 0.84 GAA (0.41) GAATSHRMEN1KMT2A
SCHEMBL5057849 0.83 FOLH1 (0.45) RAB9ANPC1TSHRMEN1KMT2A
SCHEMBL5054382 0.83 ADRB2 (0.39) RAB9ANPC1CASREGFRERBB3
SCHEMBL5054407 0.83 FFAR1 (0.38) NLRP3
SCHEMBL7047224 0.80 FFAR1 (0.42) RAB9AGAAMEN1KMT2A
SCHEMBL5054477 0.80 LMNA (0.41) GAATSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 US claimed
JP-2002509934-A 2002-04-02 JP claimed
EP-1066297-A1 PHOSPHINIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 2001-01-10 EP claimed
US-6121252-A N-ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME INHIBITORS TO TREAT GLUTAMATE ABNORMALITIES AND PROSTATE DISEASES GUILFORD PHARMACEUTICALS INC. (US) 2000-09-19 US claimed
WO-1999050272-A1 PHOSPHINIC ACID DERIVATIVES GUILFORD PHARMACEUTICALS INC. (US) 1999-10-07 WO claimed
US-20080311037-A1 Compounds which bind PSMA and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-12-18 US disclosed
US-20030064912-A1 Pharmaceutical compositions and methods of inhibiting angiogenesis using NAALADase inhibitors SLUSHER BARBARA S (US) 2003-04-03 US disclosed
EP-1066297-B1 PHOSPHINIC ACID DERIVATIVES GUILFORD PHARM INC (US) 2002-10-23 EP disclosed
US-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 US disclosed
US-6121252-A N-ACETYLATED ALPHA-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME INHIBITORS TO TREAT GLUTAMATE ABNORMALITIES AND PROSTATE DISEASES GUILFORD PHARMACEUTICALS INC. (US) 2000-09-19 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-20030064912-A1 Pharmaceutical compositions and methods of inhibiting angiogenesis using NAALADase inhibitors NAALAD2, DNPEP, DPP9 MTNR1B 3550/4885MTNR1A 2939/4885USP2 536/4885
US-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL MTNR1B 979/4885MTNR1A 932/4885USP2 4211/4885

“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.