SCHEMBL6835396

SCHEMBL6835396

CN1c2ccc(C(=O)O)cc2C(=O)C(Cc2ccc(Cl)cc2)[S+]1[O-]

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.37
HTR7 P34969 1/20 0.36
PARK7 Q99497 1/20 0.36
ALDH1A1 P00352 1/20 0.36
IP6K1 Q92551 1/20 0.36
PRKAG1 P54619 2/20 0.35
PRKAA2 P54646 2/20 0.35
PRKAB1 Q9Y478 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 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
SCHEMBL6835320 0.90 PARK7 (0.46) PARK7ALDH1A1MEN1HPGDKMT2A
SCHEMBL6831758 0.89 TSHR (0.39) PARK7CA1CA2CA4CA9
SCHEMBL6835485 0.89 PRKAG1 (0.37) PARK7PRKAG1PRKAA2PRKAB1KDM4E
SCHEMBL6835323 0.89 RXRA (0.39) PARK7ALDH1A1PRKAG1PRKAA2PRKAB1
SCHEMBL6831808 0.87 HTR7 (0.36) HTR7PARK7ALDH1A1CA1CA2
SCHEMBL6835226 0.87 KDM5A (0.36) PARK7CA1CA2CA4CA9
SCHEMBL6835231 0.83 MAPT (0.47) HTR7MEN1KMT2APOLB
SCHEMBL6831719 0.82 NR4A2 (0.39) HTR7PARK7MEN1HPGDKMT2A
SCHEMBL6835489 0.81 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2A
SCHEMBL6669286 0.78 ALDH1A1 (0.54) ALDH1A1MEN1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043985-A1 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors HICKS JAMES LESTER (US) 2004-03-04 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-20040043985-A1 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP26, MMP9 MRGPRX4 2218/4885HTR7 4332/4885PARK7 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.