SCHEMBL6740469

SCHEMBL6740469

CC(C)(C)OC(=O)[C@@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.43
ITGB7 P26010 2/20 0.43
MAPT P10636 9/20 0.43
POLB P06746 5/20 0.43
TDP1 Q9NUW8 4/20 0.43
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
MAPK1 P28482 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 2/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
NPSR1 Q6W5P4 5/20 0.39
RECQL P46063 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.39
AAK1 Q2M2I8 1/20 0.39

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
SCHEMBL6740472 1.00 ITGA4 (0.43) ITGA4ITGB7MAPTPOLBTDP1
SCHEMBL346218 0.86 ALDH1A1 (0.47) POLBCYP2C19KMT2AATMMEN1
SCHEMBL993439 0.86 ALDH1A1 (0.47) POLBCYP2C19KMT2AATMMEN1
SCHEMBL993145 0.86 ALDH1A1 (0.47) POLBCYP2C19KMT2AATMMEN1
Hydrochloric Acid SCHEMBL5224470 0.86 ITGA4 (0.44) ITGA4ITGB7MAPTPOLBTDP1
Hydrochloric Acid SCHEMBL5226974 0.86 ITGA4 (0.44) ITGA4ITGB7MAPTPOLBTDP1
SCHEMBL16538739 0.85 ADAMTS4 (0.44) ITGA4ITGB7MAPTPOLBTDP1
SCHEMBL4299016 0.85 ITGA4 (0.41) ITGA4ITGB7MAPTPOLBTDP1
SCHEMBL4299010 0.85 ITGA4 (0.41) ITGA4ITGB7MAPTPOLBTDP1
SCHEMBL17929798 0.85 ADAMTS4 (0.44) ITGA4ITGB7MAPTPOLBTDP1

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-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates SMITHKLINE BEECHAM P.L.C. 2004-11-11 US disclosed
US-20030199571-A1 (Hetero) Bicyclymethanesulfonylamino-substituted hydroxamic acid derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 US disclosed
EP-1244616-A1 (HETERO)BICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SmithKline Beecham plc (GB) 2002-10-02 EP disclosed
WO-2001047874-A1 (HETERO)BICYCLYMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-07-05 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 (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-20030199571-A1 (Hetero) Bicyclymethanesulfonylamino-substituted hydroxamic acid derivatives CD40, CD22, CD2 ITGA4 627/4885ITGB7 406/4885MAPT 4878/4885
US-20040225006-A1 (Hetero) bicyclymethanesulfonylamino-substituted hydroxamic acid derivates CD40, TNFRSF1A, CD2 ITGA4 607/4885ITGB7 526/4885MAPT 4878/4885

“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.