SCHEMBL2200248

SCHEMBL2200248

COc1cc(C=C2SC(N3CCN(C)CC3)=NC2=O)ccc1OCCCC(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.74
MEN1 O00255 11/20 0.61
KMT2A Q03164 11/20 0.61
POLB P06746 3/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 1/20 0.55
ENPP2 Q13822 1/20 0.55
GAA P10253 1/20 0.51
GFER P55789 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2B Q13224 1/20 0.51
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.47
ALOX5 P09917 1/20 0.46

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
SCHEMBL12510690 1.00 MCHR1 (0.74) MCHR1MEN1KMT2APOLBMAPT
SCHEMBL2200243 1.00 MCHR1 (0.74) MCHR1MEN1KMT2APOLBMAPT
SCHEMBL2202552 0.88 MCHR1 (0.81) MCHR1MEN1KMT2APOLBMAPT
SCHEMBL2202548 0.88 MCHR1 (0.81) MCHR1MEN1KMT2APOLBMAPT
SCHEMBL13751653 0.85 MCHR1 (0.53) MCHR1MEN1KMT2APOLBMAPT
SCHEMBL2201205 0.84 MCHR1 (0.74) MCHR1MEN1KMT2APOLBMAPT
SCHEMBL2201208 0.84 MCHR1 (0.74) MCHR1MEN1KMT2APOLBMAPT
SCHEMBL2199390 0.84 MCHR1 (0.70) MCHR1MEN1KMT2APOLBMAPT
SCHEMBL12510796 0.84 MCHR1 (0.70) MCHR1MEN1KMT2APOLBMAPT
SCHEMBL2199387 0.84 MCHR1 (0.70) MCHR1MEN1KMT2APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197870-A1 Pharmaceutical Compositions EXELIXIS, INC. (US) 2009-08-06 US claimed
EP-1805154-A2 PHARMACEUTICAL COMPOSITIONS Exelixis, Inc. (US) 2007-07-11 EP claimed
WO-2006047269-A2 PHARMACEUTICAL COMPOSITIONS EXELIXIS, INC. (US) 2006-05-04 WO claimed
US-7977489-B2 Benzylthiazolone inhibitors of estrogen-related receptors (ERR) EXELIXIS, INC. (US) 2011-07-12 US disclosed
US-20090197870-A1 Pharmaceutical Compositions EXELIXIS, INC. (US) 2009-08-06 US disclosed
US-20090197870-A1 Pharmaceutical Compositions EXELIXIS, INC. (US) 2009-08-06 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-20090197870-A1 Pharmaceutical Compositions ESRRA, ESRRB, ESR2 MCHR1 523/4885MEN1 3649/4885KMT2A 1309/4885

“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.