SCHEMBL1405235

SCHEMBL1405235

CC(=O)CCc1ccccc1NS(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.50
▸ LMNA P02545 1/20 0.50
▸ KDM4E B2RXH2 4/20 0.47
▸ RCE1 Q9Y256 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ IAPP P10997 1/20 0.46
▸ HPGD P15428 3/20 0.45
▸ PLA2G7 Q13093 2/20 0.45
▸ KEAP1 Q14145 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NR3C1 P04150 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ EP300 Q09472 1/20 0.41
▸ KAT2B Q92831 1/20 0.41
▸ KAT8 Q9H7Z6 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL1405115 0.86 ALDH1A1 (0.53) ALDH1A1LMNAKDM4EIAPPHPGD
SCHEMBL11154970 0.83 ALDH1A1 (0.50) ALDH1A1KDM4ERCE1KMT2AHPGD
SCHEMBL12474926 0.83 KMT2A (0.54) ALDH1A1LMNAKDM4ERCE1KMT2A
SCHEMBL8504969 0.80 ALDH1A1 (0.45) ALDH1A1KDM4ERCE1KMT2AHPGD
SCHEMBL3715386 0.80 PLA2G7 (0.54) ALDH1A1KDM4ERCE1KMT2AHPGD
SCHEMBL27811591 0.79 KEAP1 (0.52) ALDH1A1KDM4ERCE1KMT2AHPGD
SCHEMBL8867626 0.79 PIK3CG (0.49) ALDH1A1KDM4ERCE1KMT2AHPGD
SCHEMBL3559564 0.78 KMT2A (0.55) ALDH1A1KDM4ERCE1KMT2AHPGD
Benzene SCHEMBL3555900 0.78 KMT2A (0.55) ALDH1A1KDM4ERCE1KMT2AHPGD
SCHEMBL4624724 0.78 KEAP1 (0.47) ALDH1A1KDM4ERCE1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079747-B1 HETEROCYCLIC COMPOUNDS USEFUL AS ANABOLIC AGENTS FOR LIVESTOCK ANIMALS PFIZER LTD (GB) 2011-03-09 — — EP disclosed
US-20080161288-A1 COMPOUNDS PFIZER INC. 2008-07-03 — — US disclosed
US-4659737-A Substituted aminomethyl benzopyrans having anti-hypertensive activities BAYER AKTIENGESELLSCHAFT (DE) 1987-04-21 — — 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 (1 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-20080161288-A1 COMPOUNDS ADRB2, ADRB1, ADRA2C ALDH1A1 295/4885LMNA 1543/4885KDM4E 4170/4885

“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.

Send feedback