SCHEMBL6859136

SCHEMBL6859136

Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC(CC(=O)O)O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
CASR P41180 1/20 0.42
SIRT1 Q96EB6 1/20 0.41
TP53 P04637 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 1/20 0.40
SIRT3 Q9NTG7 1/20 0.38
ALDH1A1 P00352 2/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
P2RX4 Q99571 1/20 0.36
AVPR2 P30518 1/20 0.35
AVPR1A P37288 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
DGAT1 O75907 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
SCHEMBL7708663 0.88 POLB (0.46) POLBCASRSIRT1TP53MEN1
SCHEMBL6862489 0.82 POLB (0.47) POLBCASRSIRT1KMT2AMAPT
Hydrochloric Acid SCHEMBL6854351 0.81 GRM2 (0.39) CASRALDH1A1RORC
SCHEMBL6860701 0.79 SIRT1 (0.51) SIRT1
SCHEMBL12615109 0.73 CASR (0.55) POLBCASRSIRT1TP53MEN1
SCHEMBL6862254 0.72 GAA (0.40) POLBALDH1A1SMN1; SMN2GAARORC
SCHEMBL7713876 0.71 POLB (0.43) POLBCASRSIRT1TP53MEN1
SCHEMBL6859242 0.70 ITGB3 (0.42) GAA
SCHEMBL9155416 0.70 HTT (0.46) POLBSIRT1ALDH1A1SMN1; SMN2
SCHEMBL7711555 0.70 TSHR (0.39) CASRRORC

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-6794109-B2 POLYMER CONTAINING A FLUORINATED STYRENE COPOLYMER MASSACHUSETTS INSTITUTE OF TECHNOLOGY 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
US-20020160297-A1 Low abosorbing resists for 157 nm lithography AIR FORCE, UNITED STATES 2002-10-31 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 POLB 4738/4885CASR 602/4885SIRT1 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.