SCHEMBL4477899

SCHEMBL4477899

Cc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2[S@@+](C)[O-])cc1-n1cnc(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
HPGD P15428 1/20 0.40
PPARG P37231 2/20 0.39
LMNA P02545 2/20 0.38
NR1H4 Q96RI1 7/20 0.37
PPARA Q07869 1/20 0.37
ABL1 P00519 1/20 0.37
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
SERPINE1 P05121 1/20 0.35
NPC1 O15118 2/20 0.35
MAPK1 P28482 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 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
SCHEMBL4477895 1.00 HTT (0.40) HTTHPGDPPARGLMNANR1H4
SCHEMBL4479644 1.00 HTT (0.40) HTTHPGDPPARGLMNANR1H4
SCHEMBL5179173 0.95 HTT (0.37) HTTHPGDPPARGLMNANR1H4
SCHEMBL13935970 0.89 HPGD (0.38) HTTHPGDPPARGLMNANR1H4
SCHEMBL13935956 0.89 HPGD (0.38) HTTHPGDPPARGLMNANR1H4
SCHEMBL5179162 0.89 HPGD (0.38) HTTHPGDPPARGLMNANR1H4
SCHEMBL1414199 0.84 BRAF (0.41) HTTHPGDPPARGNR1H4PPARA
SCHEMBL4482574 0.83 ABL1 (0.39) HTTHPGDPPARGLMNANR1H4
SCHEMBL4479189 0.81 ABL1 (0.42) HTTHPGDPPARGNR1H4PPARA
SCHEMBL4463276 0.81 ABL1 (0.42) HTTHPGDPPARGNR1H4PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485657-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-02-03 US claimed
US-20050256113-A1 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-17 US claimed
US-7485657-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
US-20050256113-A1 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-17 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-20050256113-A1 Anti-cytokine heterocyclic compounds TNF, IL6, IL2 HTT 3854/4885HPGD 59/4885PPARG 475/4885

“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.