SCHEMBL7450852

SCHEMBL7450852

Cc1c(C#N)cccc1-c1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.68
NISCH Q9Y2I1 1/20 0.45
MMP3 P08254 2/20 0.42
ABL1 P00519 2/20 0.40
ABCB1 P08183 2/20 0.40
BCR P11274 2/20 0.40
TSHR P16473 1/20 0.39
AR P10275 3/20 0.39
ESR1 P03372 2/20 0.39
PTPN5 P54829 1/20 0.39
PGR P06401 1/20 0.39
SENP1 Q9P0U3 1/20 0.38
TGFBR1 P36897 1/20 0.38
PIM1 P11309 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL4506623 0.83 NISCH (0.49) ESR2NISCHTSHRADORA2A
SCHEMBL1532429 0.81 ESR2 (1.00) ESR2MMP3ABL1ABCB1BCR
SCHEMBL16581454 0.80 ABL1 (0.52) ESR2MMP3ABL1ABCB1BCR
SCHEMBL31156033 0.80 ESR2 (0.44) ESR2
SCHEMBL4009767 0.77 PGR (0.47) ESR2NISCHARPTPN5PGR
SCHEMBL27486400 0.76 PGR (0.46) ESR2NISCHTSHRARPGR
SCHEMBL7167167 0.76 ESR2 (0.50) ESR2MMP3ARESR1PGR
SCHEMBL20763808 0.76 ADORA2A (0.47) ESR2NISCHMMP3ADORA2A
SCHEMBL30413707 0.76 ADORA2A (0.47) ESR2NISCHMMP3ADORA2A
SCHEMBL1513532 0.75 TRPA1 (0.48) ESR2ABL1ABCB1BCRESR1

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
EP-1001930-B1 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LAB (US) 2002-12-04 EP disclosed
US-20020007060-A1 Reverse hydroxamate inhibitors of matrix metalloproteinases DAVIDSEN STEVEN K (US) 2002-01-17 US disclosed
US-6294573-B1 FOR THERAPY RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPENIAS SUCH AS OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR GROWTH AND METASTASIS OR INVASION ABBOTT LABORATORIES 2001-09-25 US disclosed
US-6235786-B1 RHEUMATIC DISORDERS; BONE DISORDERS; ORAL DISEASES; ANTIULCER AGENTS; ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-22 US disclosed
EP-1001930-A2 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES Abbott Laboratories (US) 2000-05-24 EP disclosed
WO-1999006361-A2 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 1999-02-11 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-20020007060-A1 Reverse hydroxamate inhibitors of matrix metalloproteinases MMP1, MMP9, MMP3 ESR2 2662/4885NISCH 2477/4885MMP3 3/4885

“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.