SCHEMBL6243182

SCHEMBL6243182

O=C(O)c1ccc(Cn2c(C3CC3)nc3ccccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.61
AGTR2 P50052 3/20 0.61
HRH1 P35367 5/20 0.59
PPARG P37231 2/20 0.58
DRD2 P14416 1/20 0.57
TBXA2R P21731 1/20 0.57
USP2 O75604 1/20 0.56
POLB P06746 1/20 0.56
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
CHRM1 P11229 1/20 0.51
CYP2D6 P10635 3/20 0.51
KCNH2 Q12809 2/20 0.51
GRM2 Q14416 1/20 0.50

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
SCHEMBL6242822 0.95 USP2 (0.60) AGTR1AGTR2HRH1PPARGDRD2
SCHEMBL3870973 0.83 TAAR1 (0.55) AGTR1AGTR2HRH1PPARGDRD2
SCHEMBL28989060 0.81 AGTR1 (0.67) AGTR1AGTR2PPARGDRD2TBXA2R
SCHEMBL8411049 0.80 USP2 (0.55) HRH1TBXA2RUSP2POLBCYP2D6
SCHEMBL1331422 0.80 HDAC1 (0.74) AGTR1AGTR2PPARGDRD2TBXA2R
SCHEMBL31596383 0.80 USP2 (0.66) HRH1USP2POLBALDH1A1GAA
Hydrochloric Acid SCHEMBL3500155 0.79 HDAC1 (0.73) AGTR1AGTR2PPARGDRD2TBXA2R
SCHEMBL2884309 0.79 ALDH1A1 (0.74) AGTR1AGTR2PPARGDRD2TBXA2R
SCHEMBL8039286 0.79 PPARG (0.67) PPARGTBXA2R
SCHEMBL3870975 0.78 HTR3A (0.60) AGTR1AGTR2HRH1PPARGDRD2

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
EP-1427408-A4 CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$g(a) CONVERTING ENZYME (TACE) BRISTOL MYERS SQUIBB CO (US) 2005-10-26 EP disclosed
EP-1427408-A2 CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$g(a) CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-16 EP disclosed
US-6740649-B2 ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS BRISTOL-MYERS SQUIBB COMPANY 2004-05-25 US disclosed
US-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-07-24 US disclosed
WO-2003024899-A2 CYCLIC HYDROXAMIC ACIDS AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2003-03-27 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 (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-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAMTS1, MMP1, ADAM17 AGTR1 479/4885AGTR2 1220/4885HRH1 1144/4885

“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.