SCHEMBL5987797

SCHEMBL5987797

CC(=O)N[C@@H](C)c1ccc(C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.61
ACACB O00763 17/20 0.56
ACACA Q13085 6/20 0.56
PHGDH O43175 1/20 0.49

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
SCHEMBL5987663 1.00 NR1H4 (0.61) NR1H4ACACBACACAPHGDH
SCHEMBL5987658 1.00 NR1H4 (0.61) NR1H4ACACBACACAPHGDH
SCHEMBL5987917 0.86 ACACB (0.54) ACACBACACA
SCHEMBL5987971 0.86 ACACB (0.54) ACACBACACA
SCHEMBL5987920 0.86 ACACB (0.54) ACACBACACA
SCHEMBL29606974 0.83 ACACB (0.51) ACACBACACAPHGDH
SCHEMBL13778592 0.82 ACACB (0.56) ACACBACACA
SCHEMBL540666 0.82 ACACB (0.65) ACACBACACA
SCHEMBL640385 0.82 ACACB (0.65) ACACBACACA
SCHEMBL1754100 0.82 ACACB (0.65) ACACBACACA

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-20060167014-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2006-07-27 US disclosed
EP-1029851-B1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2005-04-20 EP disclosed
US-20030055064-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2003-03-20 US disclosed
US-20030018034-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2003-01-23 US disclosed
US-6455528-B1 TUMOR NECROSIS FACTOR ANTAGONIST AND/OR INTERLEUKIN PROMOTER; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE TREATMENT MITSUBISHI PHARMA CORPORATION (JP) 2002-09-24 US disclosed
EP-1029851-A1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-08-23 EP 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-20030055064-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 NR1H4 3200/4885ACACB 1296/4885ACACA 1265/4885
US-20030018034-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 NR1H4 3145/4885ACACB 1289/4885ACACA 1336/4885
US-20060167014-A1 Piperazine compounds and medicinal use thereof TNF, CCR10, RELA NR1H4 3556/4885ACACB 1916/4885ACACA 1939/4885

“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.