SCHEMBL7048016

SCHEMBL7048016

CCOC(=O)C(CC1CCCCC1)C(COS(=O)(=O)c1ccc(C)cc1OCC)[PH2]=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.35
MCOLN3 Q8TDD5 1/20 0.33
GAA P10253 3/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
PPARD Q03181 1/20 0.32
EPHX2 P34913 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CTSD P07339 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
MRGPRX1 Q96LB2 1/20 0.31

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
SCHEMBL7052663 0.83 TAS1R3 (0.32) TSHRMEN1KMT2APOLBGAA
SCHEMBL7050904 0.81 ALDH1A1 (0.37) MEN1KMT2ALMNAMAPTHTT
SCHEMBL7052395 0.79 NPSR1 (0.38) MEN1KMT2APOLBLMNAMAPT
SCHEMBL7051778 0.78 PTGES (0.35) MEN1KMT2APOLBLMNAMAPT
SCHEMBL29142433 0.72 TSHR (0.46) TSHRMEN1KMT2APOLBMCOLN3
SCHEMBL7049614 0.71 MEN1 (0.38) TSHRMEN1KMT2AGAAMAPT
SCHEMBL9067250 0.70 METAP2 (0.36) TSHRALDH1A1
SCHEMBL21815478 0.68 MEN1 (0.47) TSHRMEN1KMT2APOLBMCOLN3
SCHEMBL7054021 0.67 ALDH1A1 (0.39) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL892775 0.66 METAP2 (0.43) TSHRALDH1A1

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-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
EP-0726903-B1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1997-07-16 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 TSHR 4556/4885MEN1 499/4885KMT2A 4072/4885

“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.