SCHEMBL4369577

SCHEMBL4369577

Cc1cc(C)cc(-c2ccc(C(=O)N(Cc3ccccc3)[C@@H](CCC(=O)O)C(N)=O)o2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.43
HSD17B1 P14061 5/20 0.37
HSD17B2 P37059 5/20 0.37
C3AR1 Q16581 1/20 0.36
PSMB5 P28074 1/20 0.36
TSPO P30536 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
PPARG P37231 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPOR P19235 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
SCHEMBL4621079 0.90 SLC9A1 (0.42) SLC9A1ALDH1A1HPGDLMNAMEN1
SCHEMBL4369489 0.76 PTGES (0.45) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL27826145 0.75 TRPM8 (0.46) PPARGTSHRMEN1KMT2AEPOR
SCHEMBL5650478 0.73 TRPM8 (0.50) HSD17B1HSD17B2PPARGMEN1KMT2A
SCHEMBL2245137 0.72 C3AR1 (0.53) SLC9A1C3AR1
SCHEMBL2246642 0.72 MMP12 (0.41) ALDH1A1HPGDLMNA
SCHEMBL5652973 0.71 PPARD (0.49) PSMB5ALDH1A1
SCHEMBL2247819 0.71 HSD17B2 (0.42) HSD17B1HSD17B2ALDH1A1HPGDPPARG
SCHEMBL5652505 0.71 KMT2A (0.40) ALDH1A1PPARGLMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL8630191 0.70 MEN1 (0.44) ALDH1A1HPGDPPARGLMNAMEN1

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-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 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-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 SLC9A1 870/4885HSD17B1 2139/4885HSD17B2 2502/4885

“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.