SCHEMBL4633893

SCHEMBL4633893

CCC(C)OP(=O)(O)Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.40
PGK1 P00558 1/20 0.39
PGK2 P07205 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 2/20 0.36
EPHX2 P34913 1/20 0.35
PPARG P37231 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.35
ENPP2 Q13822 1/20 0.34
CXCL12 P48061 1/20 0.34
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 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
SCHEMBL915243 0.86 PGK1 (0.37) PGK1PGK2LMNAHPGDTSHR
SCHEMBL915165 0.86 ESR1 (0.38) PGK1PGK2TDP1LMNAENPP2
SCHEMBL915104 0.84 FDPS (0.40) PGK1PGK2TDP1ALDH1A1LMNA
SCHEMBL1760139 0.84 PGK1 (0.36) PGK1PGK2ENPP2
SCHEMBL1334895 0.84 FPR2 (0.38) PGK1PGK2ALDH1A1LMNAENPP2
SCHEMBL917066 0.84 HTT (0.37) PGK1PGK2ALDH1A1HPGDEPHX2
SCHEMBL1407856 0.84 TRPA1 (0.42) TRPA1HPGDTSHR
SCHEMBL13279876 0.84 PGK1 (0.42) PGK1PGK2ALDH1A1EPHX2PPARG
SCHEMBL914038 0.83 ANPEP (0.44) ALDH1A1HTTTSHR
SCHEMBL915631 0.82 PTPN1 (0.44) PGK1PGK2MMEACECPA1

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-20080300276-A1 Heterocyclic Carboxylic Acide Amide Derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-12-04 US disclosed
EP-1928829-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2008-06-11 EP disclosed
EP-1771437-A1 NEW HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2007-04-11 EP disclosed
US-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-27 US disclosed
WO-2006066948-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed
WO-2006010969-A1 NEW HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 2006-02-02 WO 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-20080300276-A1 Heterocyclic Carboxylic Acide Amide Derivatives HCAR2, GRIN1, HCAR1 TRPA1 280/4885PGK1 4361/4885PGK2 4264/4885
US-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents CCR1, CCR2, CCR3 TRPA1 45/4885PGK1 2228/4885PGK2 2476/4885

“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.