SCHEMBL8997921

SCHEMBL8997921

CNC(CSCc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.62
PPARA Q07869 6/20 0.61
PPARG P37231 4/20 0.61
PPARD Q03181 2/20 0.52

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
SCHEMBL5217215 1.00 ACE (0.62) ACEPPARAPPARGPPARD
SCHEMBL8997911 1.00 ACE (0.62) ACEPPARAPPARGPPARD
SCHEMBL14383383 0.84 ACE (0.59) ACEPPARAPPARGPPARD
SCHEMBL14405000 0.84 ACE (0.59) ACEPPARAPPARGPPARD
SCHEMBL7283024 0.84 ACE (0.67) ACEPPARAPPARGPPARD
SCHEMBL7282451 0.84 ACE (0.67) ACEPPARAPPARGPPARD
SCHEMBL2778639 0.84 ACE (0.67) ACEPPARAPPARGPPARD
SCHEMBL5610149 0.83 ACE (0.58) ACEPPARAPPARGPPARD
SCHEMBL3963130 0.83 ACE (0.58) ACEPPARAPPARGPPARD
SCHEMBL3963125 0.83 ACE (0.58) ACEPPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS SEQUELLA, INC. 2009-07-30 US disclosed
US-5587506-A ADDING A BENZYLOXYCARBONYL BLOCKED AMINO ACID TO A SOLUTION OF SODIUM TERT-BUTOXIDE IN A NON-PROTIC SOLVENT FOLLOWED BY ADDITION OF DIMETHYL SULFATE BASF AKTIENGESELLSCHAFT (DE) 1996-12-24 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 (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-20090192173-A1 ANTI-TUBERCULAR DRUGS: COMPOSITIONS AND METHODS RIF1, TERT, ELL ACE 54/4885PPARA 575/4885PPARG 306/4885

“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.