SCHEMBL5043586

SCHEMBL5043586

CC(C)(C)OC(=O)c1ccc(CCCNCCSCc2ccccc2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
IDO1 P14902 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARD Q03181 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL5725478 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAPPARGPPARA
SCHEMBL5725633 0.79 TAAR1 (0.38) HPGDSMN1; SMN2NPC1USP2RAB9A
SCHEMBL5043004 0.79 KDM4E (0.41) ALDH1A1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL5725201 0.77 MRGPRX4 (0.37) ALDH1A1HPGDLMNAIDO1CYP2C19
SCHEMBL5725500 0.76 KDM4E (0.55) ALDH1A1SMN1; SMN2L3MBTL1KMT2AKDM4E
SCHEMBL5726025 0.75 HTR1A (0.48) ALDH1A1SMN1; SMN2LMNAIDO1NPC1
SCHEMBL5049420 0.73 PTGER2 (0.40)
SCHEMBL8570240 0.73 HPGD (0.43) ALDH1A1HPGDLMNAPPARANPSR1
SCHEMBL8982537 0.72 HPGD (0.40) ALDH1A1HPGDLMNANPSR1L3MBTL1
SCHEMBL8564545 0.72 HPGD (0.45) ALDH1A1HPGDLMNAPPARGNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442702-B2 Treatment of bone disorders; carboxy derivatives PFIZER INC. (US) 2008-10-28 US disclosed
EP-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 EP disclosed
EP-1601351-A1 USE OF EP2 SELECTIVE RECEPTOR AGONISTS IN MEDICAL TREATMENT Pfizer Products Inc. (US) 2005-12-07 EP disclosed
US-20050203086-A1 Methods of treatment using an EP2 selective receptor agonist PFIZER INC. 2005-09-15 US disclosed
WO-2004078169-A1 USE OF EP2 SELECTIVE RECEPTOR AGONISTS IN MEDICAL TREATMENT PFIZER PRODUCTS INC. (US) 2004-09-16 WO disclosed
US-20030078261-A1 Prostaglandin agonists CAMERON KIMBERLY O (US) 2003-04-24 US disclosed
US-6498172-B1 (3-(((4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO)-METHYL) -PHENOXY)-ACETIC ACID OR SALT; TREATING SUCH AS OSTEOPOROSIS PFIZER INC. 2002-12-24 US disclosed
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 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-20050203086-A1 Methods of treatment using an EP2 selective receptor agonist PTGER2, PTGES2, PTGFR ALDH1A1 3293/4885HPGD 787/4885SMN1; SMN2 3228/4885
US-20030078261-A1 Prostaglandin agonists PTGER1, PTGER4, PTGIR ALDH1A1 1987/4885HPGD 25/4885SMN1; SMN2 3405/4885

“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.