SCHEMBL13849465

SCHEMBL13849465

COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CCCN(Cc2ccc(C(C)C(=O)O)cc2)C3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.39
CYP2D6 P10635 4/20 0.39
USP2 O75604 4/20 0.39
TSHR P16473 4/20 0.37
CYP1A2 P05177 3/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
PKM P14618 1/20 0.37
CYP2C9 P11712 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
HRH3 Q9Y5N1 3/20 0.36
MMP1 P03956 3/20 0.36
MMP13 P45452 3/20 0.36
ADAM17 P78536 2/20 0.36
MMP3 P08254 1/20 0.36
HIF1A Q16665 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
SCHEMBL13849464 0.93 CYP3A4 (0.38) CYP3A4CYP2D6USP2TSHRCYP1A2
SCHEMBL2916485 0.90 CYP3A4 (0.44) CYP3A4CYP2D6TSHRCYP1A2POLB
SCHEMBL2913300 0.89 GHSR (0.40) CYP3A4CYP2D6USP2TSHRCYP1A2
SCHEMBL2911536 0.82 PTGS1 (0.37) ALDH1A1KMT2AMMP1MMP13ADAM17
SCHEMBL2942975 0.80 SIGMAR1 (0.48) CYP2D6TSHRPOLBMEN1KMT2A
SCHEMBL2909365 0.76 ALDH1A1 (0.41) POLBALDH1A1MEN1KMT2AOPRM1
SCHEMBL2913042 0.75 CCR8 (0.42) CYP2D6TSHRPOLBALDH1A1PKM
SCHEMBL2915758 0.75 CCR8 (0.42) CYP2D6TSHRPOLBALDH1A1PKM
SCHEMBL2917139 0.75 MMP1 (0.35) TSHRALDH1A1MEN1KMT2AMMP1
SCHEMBL2909458 0.74 GSK3A (0.39) TSHRALDH1A1MEN1KMT2AOPRM1

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-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 US disclosed
US-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 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-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS PPARD, PPARG, PPARA CYP3A4 313/4885CYP2D6 440/4885USP2 4668/4885

“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.