SCHEMBL4882424

SCHEMBL4882424

CC(C)(C)OC(=O)C(C)(C)Sc1ccc(CNCc2ccco2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 7/20 0.44
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 4/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4A O75164 1/20 0.38
KDM4B O94953 1/20 0.38
KDM5C P41229 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38

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
Hydrochloric Acid SCHEMBL4886040 0.99 ATM (0.52) ATMMEN1KMT2AALDH1A1GAA
SCHEMBL6774346 0.90 CA12 (0.48) ATMMEN1KMT2AALDH1A1MAPK1
SCHEMBL6783504 0.82 ATM (0.56) ATMMEN1KMT2AALDH1A1GAA
SCHEMBL4879297 0.78 PPARA (0.46) POLBMAPT
SCHEMBL5227021 0.77 PTPRZ1 (0.38) ATMGAAL3MBTL1
SCHEMBL14026437 0.77 PYCR1 (0.43) ATMGAAL3MBTL1
SCHEMBL6784881 0.77 ATM (0.58) ATMMEN1KMT2AALDH1A1GAA
SCHEMBL4886701 0.76 L3MBTL1 (0.44) MEN1KMT2AALDH1A1GAAMAPK1
SCHEMBL14019436 0.76 PPARA (0.39) POLBMAPT
SCHEMBL6776423 0.75 CA12 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
EP-1742942-A1 PHENYLTHIOACETIC ACID DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2007-01-17 EP disclosed
WO-2005097784-A1 PHENYLTHIOACETIC ACID DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2005-10-20 WO disclosed
US-20040176445-A1 Propionic acid derivatives BAYER PHARMACEUTICALS CORPORATION 2004-09-09 US disclosed
US-6750236-B2 CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2004-06-15 US disclosed
US-20030187041-A1 Propionic acid derivatives URBAHNS KLAUS (DE) 2003-10-02 US disclosed
EP-1328508-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES Bayer Aktiengesellschaft (DE) 2003-07-23 EP disclosed
US-6548538-B2 Potent peroxisome proliferator activated receptor (PPAR)-alpha-activating compounds; propionic acid 2-subsituted with an N-(phenylaminocarbonylalkyl), N-(2-furanylmethyl)aminoalkylphenyl group BAYER AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed
US-20030032671-A1 Propionic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-02-13 US disclosed
WO-2002028821-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2002-04-11 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 (4 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-20030187041-A1 Propionic acid derivatives PPARA, PPARD, PPARG ATM 4149/4885MEN1 4797/4885KMT2A 3323/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG ATM 3272/4885MEN1 4851/4885KMT2A 4215/4885
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof PAH, TST, MPST ATM 447/4885MEN1 3804/4885KMT2A 2353/4885
US-20040176445-A1 Propionic acid derivatives PPARD, PPARA, PPARG ATM 3272/4885MEN1 4851/4885KMT2A 4215/4885

“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.