SCHEMBL8222783

SCHEMBL8222783

O=C(NCc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ LMNA P02545 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ ADAM17 P78536 4/20 0.46
▸ FAAH O00519 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ CCR1 P32246 1/20 0.44
▸ GRM5 P41594 1/20 0.43

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
SCHEMBL8220827 0.94 HRH3 (0.53) LMNASMN1; SMN2HTTHRH3ADAM17
SCHEMBL8212945 0.92 ADAM17 (0.51) LMNAHTTNPSR1HRH3ADAM17
SCHEMBL8220614 0.91 MAPT (0.48) GFERATMLMNASMN1; SMN2HTT
SCHEMBL8222145 0.90 MAPT (0.55) GFERLMNASMN1; SMN2HRH3ADAM17
SCHEMBL8220752 0.90 MAPT (0.50) NPSR1HRH3ADAM17MEN1KMT2A
SCHEMBL8216000 0.90 TP53 (0.55) GFERLMNASMN1; SMN2HRH3ADAM17
SCHEMBL8220754 0.90 MAPK14 (0.52) GFERLMNASMN1; SMN2HRH3ADAM17
SCHEMBL8222162 0.90 ADAM17 (0.44) GFERATMLMNASMN1; SMN2HTT
SCHEMBL8212997 0.88 HRH3 (0.45) LMNAHRH3ADAM17FAAHMEN1
SCHEMBL8215973 0.87 HRH3 (0.47) GFERLMNASMN1; SMN2HRH3ADAM17

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 12 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
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 GFER 2295/4885ATM 2415/4885LMNA 515/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF GFER 2571/4885ATM 2540/4885LMNA 353/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 GFER 4007/4885ATM 3592/4885LMNA 668/4885

“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.

Send feedback