SCHEMBL7607068

SCHEMBL7607068

O=C(O)[C@H](Cc1ccccc1)Nc1cccs1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ CTSL P07711 1/20 0.46
▸ NAALAD2 Q9Y3Q0 2/20 0.46
▸ HPGDS O60760 1/20 0.45
▸ MMP2 P08253 4/20 0.44
▸ MMP9 P14780 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ ADAMTS4 O75173 1/20 0.44
▸ FOLH1 Q04609 1/20 0.44

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
SCHEMBL7607064 1.00 MME (0.48) MMENPSR1CTSLNAALAD2HPGDS
SCHEMBL7378091 0.85 ATM (0.52) CTSLL3MBTL1
SCHEMBL1032800 0.82 CYP2C19 (0.43) MMEL3MBTL1
SCHEMBL1032798 0.82 CYP2C19 (0.43) MMEL3MBTL1
SCHEMBL28071904 0.81 CYP2C19 (0.42) FOLH1
SCHEMBL5828815 0.81 CYP2C19 (0.42) FOLH1
SCHEMBL7739887 0.78 NAALAD2 (0.46) NAALAD2MMP9ADAMTS4FOLH1
Dl-Phenylalanine SCHEMBL28266480 0.77 SLC7A5 (0.58) MME
SCHEMBL10654990 0.77 CTSL (0.68) MMENPSR1CTSLHPGDSL3MBTL1
SCHEMBL29159326 0.77 MEN1 (0.45) MMEFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0331404-A2 Method for producing tropane alkaloid SEITAIKINOU RIYOU KAGAKUHIN SHINSEIZOUGIJUTSU KENKYU KUMIAI (JP) 1989-09-06 — — EP claimed
CN-102282159-B Peptide derivant and using binding substances form as the application of molecular vehicle VECT-HORUS (FR) 2015-11-25 — — CN disclosed
US-6448408-B1 CHEMICAL INTERMEDIATES IN PREPARATION OF N-MERCAPTOACYL DERIVATIVE OF PHENYLALANINE WITH PHARMALOGICAL ACTIVITY ZAMBON GROUP S.P.A. (IT) 2002-09-10 — — US disclosed
US-20020028946-A1 PROCESS FOR THE PREPARATION OF HETEROARYL-PHENYLALANINES ZAMBON GROUP S.P.A. (IT) 2002-03-07 — — US disclosed
EP-0948492-B1 PROCESS FOR THE PREPARATION OF HETEROARYL-PHENYLALANINES ZAMBON SPA (IT) 2001-07-11 — — EP 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-20020028946-A1 PROCESS FOR THE PREPARATION OF HETEROARYL-PHENYLALANINES PAH, TYR, CYP2S1 MME 1645/4885NPSR1 151/4885CTSL 1176/4885

“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.

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