SCHEMBL16296751

SCHEMBL16296751

CCNc1cc2c(cc1C)C(c1ccc(S(=O)(=O)O)cc1S(=O)(=O)O)c1cc(C)c(NCC)cc1O2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.32
CASP6 P55212 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA7 P43166 2/20 0.31
CA14 Q9ULX7 2/20 0.31
TIMP3 P35625 1/20 0.31

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
SCHEMBL7699608 0.74 MEN1 (0.40) CYP3A4TSHRRECQLLMNACA12
SCHEMBL15325422 0.73 ALDH1A1 (0.46) TSHRRECQLLMNACASP6CA12
SCHEMBL6660835 0.72 CYP3A4 (0.56) CYP3A4TSHRRECQLLMNACASP6
SCHEMBL9327344 0.72 LMNA (0.44) CYP3A4TSHRRECQLLMNACASP6
SCHEMBL9329057 0.72 TIMP3 (0.48) RECQLLMNACASP6CA12CA1
SCHEMBL8619918 0.72 CYP3A4 (0.43) CYP3A4TSHRRECQLLMNACASP6
SCHEMBL16490263 0.72 MEN1 (0.39) CYP3A4TSHRRECQLCA12CA1
SCHEMBL1263804 0.71 CYP2C9 (0.38) CYP3A4TSHRRECQLLMNA
SCHEMBL15133691 0.71 CYP2C9 (0.39) CYP3A4TSHRRECQL
SCHEMBL6402835 0.71

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-9549988-B2 Pharmaceutical compounds targeted by MIF affinity-tethered moieties RJS Biologics (US) 2017-01-24 US disclosed
US-20150352217-A1 Pharmaceutical Compounds Targeted by MIF Affinity-Tethered Moieties RJS BIOLOGICS LLC 2015-12-10 US disclosed
WO-2014200872-A9 PHARMACEUTICAL COMPOUNDS TARGETED BY MIF AFFINITY-TETHERED MOIETIES RJS BIOLOGICS LLC (US) 2015-02-05 WO disclosed
WO-2014200872-A1 PHARMACEUTICAL COMPOUNDS TARGETED BY MIF AFFINITY-TETHERED MOIETIES RJS BIOLOGICS LLC (US) 2014-12-18 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 (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-20150352217-A1 Pharmaceutical Compounds Targeted by MIF Affinity-Tethered Moieties MIF, HMGB2, HMGB1 CYP3A4 2877/4885TSHR 3054/4885RECQL 2278/4885

“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.