SCHEMBL6860296

SCHEMBL6860296

CC(C)(C)OC(=O)c1ccc2c(c1)NCC(CC(=O)O)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.39
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
SLC7A5 Q01650 1/20 0.35
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33

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
SCHEMBL6862761 0.89 USP2 (0.39) RORCSIRT2SIRT1GABRA1GABRG2
SCHEMBL7708680 0.89 USP2 (0.39) RORCSIRT2SIRT1GABRA1GABRG2
SCHEMBL16851484 0.81 RORC (0.56) RORC
SCHEMBL25072345 0.76 RORC (0.39) RORCHSD17B10
SCHEMBL16856437 0.75 HSD17B10 (0.37) RORCHSD17B10ITGB3ITGA2BKMT2A
SCHEMBL18581139 0.74 ALOX5 (0.43) ALOX15HSD17B10MEN1NPC1MAPT
SCHEMBL16856083 0.73 RORC (0.47) RORC
SCHEMBL16823741 0.72 RORC (0.53) RORC
SCHEMBL16851276 0.72 RORC (0.53) RORC
SCHEMBL18143232 0.72 RORC (0.53) RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed
US-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists PHARMACIA & UPJOHN S.P.A. (IT) 2003-04-10 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-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists ITGB1, ITGA1, ITGB3 RORC 1719/4885SIRT2 865/4885SIRT1 639/4885

“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.