SCHEMBL8214804

SCHEMBL8214804

Cc1ccccc1N1CCN(C(=O)[C@H](O)[C@@H](O)C(=O)N[C@@H](C)c2ccc(Br)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ AKR1C3 P42330 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HSP90AB1 P08238 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ AR P10275 2/20 0.40
▸ ADAM17 P78536 2/20 0.40
▸ ADAM10 O14672 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ MMP13 P45452 1/20 0.40

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
SCHEMBL8207933 0.90 GAA (0.51) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL8207736 0.88 MEN1 (0.46) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL8215213 0.88 IGF1R (0.53) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL8212230 0.87 HSP90AB1 (0.43) SMN1; SMN2LMNAALDH1A1HSP90AB1ADAM17
SCHEMBL8209206 0.87 IGF1R (0.53) AKR1C3LMNAKMT2AMAPTALDH1A1
SCHEMBL13605812 0.82 ACACB (0.44) SMN1; SMN2HTTMAPTALDH1A1ADAM17
SCHEMBL8207679 0.82 ACACB (0.44) SMN1; SMN2HTTMAPTALDH1A1ADAM17
SCHEMBL14494240 0.82 GAA (0.52) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL8215158 0.82 KMT2A (0.52) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL8245183 0.82 ACACB (0.45) SMN1; SMN2LMNAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7553864-B2 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION (US) 2009-06-30 — — US disclosed
US-7553864-B2 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION (US) 2009-06-30 — — 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-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-06-07 — — US disclosed
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-06-07 — — 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 SMN1; SMN2 2291/4885AKR1C3 1354/4885LMNA 515/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF SMN1; SMN2 1570/4885AKR1C3 1087/4885LMNA 353/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI SMN1; SMN2 2646/4885AKR1C3 1618/4885LMNA 531/4885

“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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