SCHEMBL8220591

SCHEMBL8220591

N#Cc1cc(F)ccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCOCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 4/20 0.49
▸ KMT2A Q03164 2/20 0.40
▸ MTTP P55157 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTR1A P08908 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GSK3A P49840 2/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ AURKA O14965 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KLKB1 P03952 1/20 0.36

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
SCHEMBL8222060 0.92 ADAM17 (0.54) ADAM17MTTPHTR1ADRD2HTR7
SCHEMBL8221714 0.89 ADAM17 (0.49) ADAM17HTR1ADRD2HTR7HTR6
SCHEMBL8273723 0.86 KMT2A (0.42) ADAM17KMT2AMTTPMEN1SMN1; SMN2
SCHEMBL8215172 0.85 ADAM17 (0.51) ADAM17KMT2AMEN1HTR1ADRD2
SCHEMBL8223426 0.85 ADAM17 (0.51) ADAM17
SCHEMBL13544251 0.85 ADAM17 (0.51) ADAM17
SCHEMBL8220596 0.81 ADAM17 (0.46) ADAM17HTR1ADRD2HTR7HTR6
SCHEMBL8220169 0.79 ADAM17 (0.46) ADAM17HTR1ADRD2HTR7HTR6
SCHEMBL8276794 0.79 ADAM17 (0.45) ADAM17MTTPDPP4
SCHEMBL8215109 0.78 KDM4E (0.45) KMT2AHTR1ADRD2HTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039467-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2011-10-18 — — US disclosed
US-8039467-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2011-10-18 — — US disclosed
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-06-10 — — US disclosed
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-06-10 — — US disclosed
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 — — US disclosed
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 — — US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 — — US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 — — US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 — — US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 — — US disclosed
WO-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 — — WO disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 — — US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 — — US 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 (3 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 ADAM17 4/4885KMT2A 3890/4885MTTP 122/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF ADAM17 11/4885KMT2A 3845/4885MTTP 188/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 ADAM17 7/4885KMT2A 4171/4885MTTP 370/4885

“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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