SCHEMBL7708680

SCHEMBL7708680

COC(=O)CC1CNc2cc(C(=O)OC(C)(C)C)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
RORC P51449 6/20 0.39
ALOX5 P09917 1/20 0.36
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
MIF P14174 3/20 0.34

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 1.00 USP2 (0.39) USP2GAARORCALOX5ALOX15
SCHEMBL6860296 0.89 RORC (0.39) RORCALOX15HSD17B10SIRT2SIRT1
SCHEMBL18143232 0.83 RORC (0.53) RORC
SCHEMBL16851276 0.83 RORC (0.53) RORC
SCHEMBL16823741 0.83 RORC (0.53) RORC
SCHEMBL16851256 0.79 USP2 (0.44) USP2GAARORCHSD17B10MEN1
SCHEMBL3354070 0.79 USP2 (0.44) USP2GAAHSD17B10
SCHEMBL25072345 0.79 RORC (0.39) RORCHSD17B10MIFEPHX2
SCHEMBL18581139 0.76 ALOX5 (0.43) ALOX5ALOX15HSD17B10MEN1KMT2A
SCHEMBL11305107 0.76 HPGD (0.51) USP2GAAHSD17B10MEN1KMT2A

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-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed
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 USP2 4677/4885GAA 2127/4885RORC 1719/4885

“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.