SCHEMBL7607449

SCHEMBL7607449

O=C(O)C(OP(=O)(O)Cc1ccccc1)c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
CYP2C19 P33261 3/20 0.37
NPC1 O15118 2/20 0.37
CYP2C9 P11712 2/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37
HPGD P15428 2/20 0.36
FOLH1 Q04609 1/20 0.36
CYP1A2 P05177 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL5054709 0.81 ACP3 (0.44) TSHRCYP2D6HPGDFOLH1
SCHEMBL7606961 0.78 IDO1 (0.35) TSHRMAPTHPGDFOLH1
SCHEMBL7606730 0.78 SLC6A2 (0.41) ALDH1A1MAPTRAB9ASMN1; SMN2FOLH1
SCHEMBL5054525 0.77 CYP2C19 (0.50) LMNAPPARGPPARACYP2C19NPC1
SCHEMBL5060516 0.77 CYP2C19 (0.45) LMNAALDH1A1CYP2C19NPC1RAB9A
SCHEMBL7604585 0.75 POLB (0.40) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL5051263 0.75 LMNA (0.41) TSHRLMNAMAPTCYP2C19CYP2C9
SCHEMBL7608198 0.75 KDM4E (0.42) TSHRALDH1A1SMN1; SMN2HPGDFOLH1
SCHEMBL7606637 0.74 TSHR (0.43) TSHRLMNAALDH1A1MAPTCYP2C19
SCHEMBL5051158 0.73 FOLH1 (0.43) TSHRCYP2C19CYP2C9HPGDFOLH1

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
US-20020151503-A1 Methods of cancer treatment using naaladase inhibitors SLUSHER BARBARA S (US) 2002-10-17 US claimed
JP-2002515040-A 2002-05-21 JP claimed
JP-2002514160-A 2002-05-14 JP claimed
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP claimed
EP-0936914-A4 1999-08-25 EP claimed
EP-0936914-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-08-25 EP claimed
WO-1997048400-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed
US-20020151503-A1 Methods of cancer treatment using naaladase inhibitors SLUSHER BARBARA S (US) 2002-10-17 US disclosed
US-6372726-B1 ADMINISTERING CARBOXYALKYL PHOSPHONATE, PHOSPHORAMIDATE, OR PHOSPHINE OXIDE DERIVATIVE AS ANTITUMOR AGENT TO TREAT CANCER OF PROSTATE GLAND GUILFORD PHARMACEUTICALS INC. 2002-04-16 US disclosed
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US disclosed
US-6011021-A GLUTAMATE-DERIVED HYDROXYPHOSPHINYL DERIVATIVE. GUILFORD PHARMACEUTICALS INC. (US) 2000-01-04 US disclosed
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP disclosed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 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 (1 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-20020151503-A1 Methods of cancer treatment using naaladase inhibitors NAALAD2, DNPEP, ACP3 TSHR 4252/4885LMNA 3855/4885ALDH1A1 737/4885

“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.