SCHEMBL2884334

SCHEMBL2884334

COC(=O)CCCCN(CCc1cc2c(cc1OCc1ccc(-c3ccc(C(F)(F)F)cc3)cc1)CCCC2)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.36
PTPN2 P17706 2/20 0.36
PTPN6 P29350 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
PSEN1 P49768 2/20 0.35
SLC2A1 P11166 1/20 0.35
ALOX5 P09917 1/20 0.35
GCGR P47871 2/20 0.35
GIPR P48546 2/20 0.35
MAPT P10636 3/20 0.34
RAB9A P51151 1/20 0.34
AR P10275 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
MAOB P27338 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL2890512 0.90 MTNR1B (0.38) MAPTRAB9AKDM4EALDH1A1HPGD
SCHEMBL13009915 0.88 PPARD (0.39) PTPN1PTPN2PTPN6MRGPRX4PSEN1
SCHEMBL2884646 0.88 CCR5 (0.38) MAPTRAB9AKDM4EALDH1A1HPGD
SCHEMBL13009860 0.87 MAPT (0.40) PTPN1PTPN2PTPN6MRGPRX4PSEN1
SCHEMBL13378441 0.86 RXRB (0.43) PTPN1PTPN2PTPN6MRGPRX4PSEN1
SCHEMBL6700714 0.84 PPARD (0.42) PTPN1PTPN2PTPN6MRGPRX4PSEN1
SCHEMBL13009767 0.81 MEN1 (0.42) MRGPRX4PSEN1SLC2A1ALOX5MAPT
SCHEMBL13061697 0.80 NPSR1 (0.43) ALOX5MAPTRAB9ARXRARXRB
SCHEMBL14270615 0.80 ACHE (0.37) MAPTRAB9A
SCHEMBL13009731 0.80 MAPT (0.39) MAPTRAB9ARXRARXRBRXRG

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-7705043-B2 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-27 US disclosed
US-7705043-B2 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-27 US disclosed
US-20070179139-A1 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2007-08-02 US disclosed
US-20070179139-A1 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2007-08-02 US disclosed
US-20070179139-A1 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2007-08-02 US disclosed
US-20040082798-A1 Novel amino dicarboxylic acid derivatives with pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-04-29 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 (2 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-20040082798-A1 Novel amino dicarboxylic acid derivatives with pharmaceutical properties ABAT, BCAT2, GOT1 PTPN1 4614/4885PTPN2 4720/4885PTPN6 4729/4885
US-20070179139-A1 Substituted aminodicarboxylic acid derivatives having pharmaceutical properties ACMSD, AADAT, DDC PTPN1 3069/4885PTPN2 3456/4885PTPN6 3150/4885

“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.