SCHEMBL7052090

SCHEMBL7052090

C[C](C)SCc1ccc(C#N)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.65
▸ CYP2A6 P11509 2/20 0.52
▸ HTT P42858 1/20 0.51
▸ LOXL2 Q9Y4K0 2/20 0.48
▸ MAOB P27338 5/20 0.47
▸ MAOA P21397 4/20 0.47
▸ BCHE P06276 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA9 Q16790 1/20 0.41

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
SCHEMBL25798168 0.86 IDO1 (0.68) IDO1CYP2A6HTTLOXL2MAOB
SCHEMBL6091888 0.85 IDO1 (0.61) IDO1CYP2A6HTTLOXL2MAOB
SCHEMBL12835104 0.85 IDO1 (0.61) IDO1CYP2A6HTTLOXL2MAOB
SCHEMBL850733 0.78 IDO1 (1.00) IDO1NOS3NOS1
Bromide SCHEMBL31060341 0.77 IDO1 (1.00) IDO1NOS3NOS1
Hydrochloric Acid SCHEMBL2943843 0.77 IDO1 (0.96) IDO1NOS3NOS1
SCHEMBL14423967 0.77 IDO1 (0.71) IDO1CYP2A6HTTLOXL2MAOB
SCHEMBL1145998 0.77 CYP2A6 (0.58) IDO1CYP2A6HTTLOXL2MAOB
SCHEMBL23742780 0.77 IDO1 (0.56) IDO1CYP2A6HTTLOXL2MAOB
SCHEMBL28180117 0.76 IDO1 (0.59) IDO1CYP2A6HTTLOXL2MAOB

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
US-20030212067-A1 Matrix metalloprotease inhibitors CASTELHANO ARLINDO LUCAS (US) 2003-11-13 — — US disclosed
US-6579890-B1 Matrix metalloprotease inhibitors SYNTEX (U.S.A.) INC. 2003-06-17 — — US disclosed
US-6037472-A FOR TREATING DISEASE-STATES CHARACTERIZED BY EXCESSIVE ACTIVITY OF MATRIX METALLOPROTEASES SUCH AS RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTAL DISEASE, ABERRANT ANGIOGENESIS, TUMOR INVASION AND METASTASIS SYNTEX (U.S.A.) INC. (US) 2000-03-14 — — US disclosed
EP-0793643-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-09-10 — — EP disclosed
WO-1996016027-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-05-30 — — 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-20030212067-A1 Matrix metalloprotease inhibitors MMP7, MMP1, MMP3 IDO1 421/4885CYP2A6 1309/4885HTT 2720/4885

“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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