SCHEMBL4444864

SCHEMBL4444864

C[C@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.60
CYP3A4 P08684 7/20 0.56
TSHR P16473 3/20 0.56
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
ACHE P22303 1/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 2/20 0.52
CTSK P43235 2/20 0.51
MAPT P10636 2/20 0.51
CTRB1 P17538 2/20 0.50
CTSL P07711 1/20 0.50
CTSS P25774 1/20 0.50
ELANE P08246 1/20 0.50
PTGER4 P35408 1/20 0.49
PTGER2 P43116 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
SCHEMBL2851560 1.00 ATM (0.60) ATMCYP3A4TSHRCA1CA2
SCHEMBL2851564 1.00 ATM (0.60) ATMCYP3A4TSHRCA1CA2
Hydrochloric Acid SCHEMBL2853606 0.99 ATM (0.59) ATMCYP3A4TSHRCA1CA2
Hydrochloric Acid SCHEMBL2853610 0.99 ATM (0.59) ATMCYP3A4TSHRCA1CA2
SCHEMBL21469067 0.90 ATM (0.68) ATMCYP3A4TSHRMEN1LMNA
SCHEMBL8530402 0.90 ATM (0.68) ATMCYP3A4TSHRMEN1LMNA
SCHEMBL30460502 0.90 ATM (0.68) ATMCYP3A4TSHRMEN1LMNA
SCHEMBL21399728 0.89 CYP3A4 (0.64) ATMCYP3A4TSHRLMNAALDH1A1
SCHEMBL2853604 0.89 ATM (0.57) ATMCYP3A4TSHRCA1CA2
SCHEMBL6558237 0.89 ATM (0.57) ATMCYP3A4TSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663979-B1 PHENYL OR PYRIDYL AMIDE COMPOUNDS AS PROSTAGLANDIN E2 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2013-10-09 EP disclosed
CN-1867551-B Phenyl or pyridyl amide compounds as prostaglandin E2 antagonists RAQUALIA PHARMA INC 2013-09-11 CN disclosed
WO-2005102389-A9 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2009-04-30 WO disclosed
WO-2005102389-A9 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2009-04-30 WO disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
US-7238714-B2 Aryl or heteroaryl amide compounds PFIZER JAPAN, INC. (JP) 2007-07-03 US disclosed
EP-1740211-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
CN-1867551-A Phenyl or pyridyl amide compounds as prostaglandin E2 antagonists PFIZER (US) 2006-11-22 CN disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 WO disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 WO disclosed
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
US-20050065188-A1 Aryl or heteroaryl amide compounds ASKAT INC. (JP) 2005-03-24 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-20050065188-A1 Aryl or heteroaryl amide compounds HRH2, PTGER1, LTB4R2 ATM 4784/4885CYP3A4 221/4885TSHR 894/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 ATM 4110/4885CYP3A4 1139/4885TSHR 992/4885

“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.