SCHEMBL6360206

SCHEMBL6360206

CSCC[C@H](NC(=O)C1(Oc2ccc(CC(=O)Nc3cc(C)cc(C)c3)cc2)CCCC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
FNTA P49354 3/20 0.43
FNTB P49356 3/20 0.43
PGGT1B P53609 2/20 0.43
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CCKBR P32239 1/20 0.36

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
SCHEMBL6358814 1.00 MAPK1 (0.43) MAPK1FNTAFNTBPGGT1BNPSR1
SCHEMBL6362802 0.89 TMPRSS15 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL6357946 0.88 ALDH1A1 (0.38) ALDH1A1LMNAMEN1KMT2AITGB1
SCHEMBL6362113 0.88 ALDH1A1 (0.38) ALDH1A1LMNAMEN1KMT2AITGB1
SCHEMBL6361828 0.88 ITGB3 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL6357882 0.88 ITGB3 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL6361418 0.87 TMPRSS15 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL6355462 0.86 ALDH1A1 (0.43) MAPK1ALDH1A1LMNAATMMEN1
SCHEMBL6353468 0.86 ALDH1A1 (0.43) MAPK1ALDH1A1LMNAATMMEN1
SCHEMBL6361384 0.86 ITGB3 (0.48) MEN1KMT2AITGB1ITGA4

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-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers ALLOS THERAPEUTICS, INC. 2005-07-14 US disclosed
US-6894185-B2 Substituted chiral allosteric hemoglobin modifiers Allós Therapeutics, Inc. (US) 2005-05-17 US disclosed
US-20030130523-A1 Substituted chiral allosteric hemoglobin modifiers ABRAHAM DONALD J (US) 2003-07-10 US disclosed
US-6486342-B1 Substituted chiral allosteric hemoglobin modifiers VIRGINIA COMMONWEALTH UNIVERSITY 2002-11-26 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 (2 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-20030130523-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 MAPK1 4777/4885FNTA 321/4885FNTB 164/4885
US-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 MAPK1 4777/4885FNTA 321/4885FNTB 164/4885

“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.