SCHEMBL2082301

SCHEMBL2082301

C[C@@H](c1ccccc1)N1C[C@H](C2(NC(=O)OC(C)(C)C)CC2)CC1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
MAPK1 P28482 1/20 0.43
HSD11B1 P28845 1/20 0.36
CTSK P43235 3/20 0.36
MAPT P10636 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
METAP2 P50579 2/20 0.35
CTSS P25774 1/20 0.35
ATM Q13315 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 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
SCHEMBL2082300 1.00 KMT2A (0.51) KMT2AMAPK1HSD11B1CTSKMAPT
SCHEMBL2082032 0.81 DRD4 (0.39) HSD11B1UTS2RATM
SCHEMBL2082035 0.81 DRD4 (0.39) HSD11B1UTS2RATM
SCHEMBL6204711 0.81 KMT2A (0.41) KMT2AMAPK1HSD11B1CTSKUTS2R
SCHEMBL6204716 0.81 KMT2A (0.41) KMT2AMAPK1HSD11B1CTSKUTS2R
SCHEMBL6204713 0.81 KMT2A (0.41) KMT2AMAPK1HSD11B1CTSKUTS2R
SCHEMBL4713900 0.79 KMT2A (0.47) KMT2AMAPK1CTSKUTS2RCTSS
SCHEMBL4713895 0.79 KMT2A (0.47) KMT2AMAPK1CTSKUTS2RCTSS
SCHEMBL31401115 0.78 KMT2A (0.39) KMT2ACTSKUTS2RCTSSDPP8
SCHEMBL6008976 0.78 KMT2A (0.39) KMT2ACTSKUTS2RCTSSDPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902226-B2 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
EP-1336611-B1 DEHALOGENO COMPOUNDS DAIICHI SEIYAKU CO (JP) 2007-09-05 EP disclosed
US-20070123560-A1 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. 2007-05-31 US disclosed
US-20040063754-A1 Dehalogeno compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1336611-A1 DEHALOGENO COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-08-20 EP 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-20040063754-A1 Dehalogeno compounds DEK, PGLS, RPS27L KMT2A 2835/4885MAPK1 2078/4885HSD11B1 1295/4885
US-20070123560-A1 Dehalogeno-compounds DEK, RPS27L, POLL KMT2A 3591/4885MAPK1 2115/4885HSD11B1 1273/4885

“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.