SCHEMBL7624014

SCHEMBL7624014

NC(=O)[C@@H]1CCC(=O)N1c1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
KMT2A Q03164 2/20 0.42
CNR2 P34972 7/20 0.39
P2RX7 Q99572 2/20 0.38
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
DPP4 P27487 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NPC1L1 Q9UHC9 1/20 0.35
APAF1 O14727 1/20 0.35
POLB P06746 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
SCHEMBL13285265 0.86 CNR2 (0.51) KMT2ACNR2P2RX7
SCHEMBL28820301 0.85 P2RX7 (0.49) KMT2ACNR2P2RX7PTGER3PTGER2
SCHEMBL13284935 0.85 ESR1 (0.46) ESR1ESR2KMT2ACNR2P2RX7
SCHEMBL6994953 0.83 P2RX7 (0.37) KMT2ACNR2P2RX7PTGER3PTGER2
SCHEMBL28530745 0.82 TDP1 (0.52) KMT2ACYP2C19TDP1POLB
SCHEMBL6790722 0.81 ITGB3 (0.44) KMT2AP2RX7PTGER3PTGER2POLB
SCHEMBL2171939 0.79 TDP1 (0.49) KMT2ACNR2P2RX7CYP2C9CYP2C19
SCHEMBL6789700 0.79 PHGDH (0.42) KMT2ACNR2PTGER3PTGER2CYP2C19
SCHEMBL11112763 0.75 ESR1 (0.49) ESR1ESR2KMT2ATDP1APAF1
SCHEMBL13285262 0.74 PHGDH (0.43) KMT2ACNR2P2RX7PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020061839-A1 Serine peptidase modulators SCHARPE SIMON LODEWIJK (BE) 2002-05-23 US disclosed
EP-1062222-A1 SERINE PEPTIDASE MODULATORS Fondatech Benelux N.V. (BE) 2000-12-27 EP disclosed
WO-1999046272-A1 SERINE PEPTIDASE MODULATORS FONDATECH BENELUX N.V. (BE) 1999-09-16 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-20020061839-A1 Serine peptidase modulators FAP, CTSC, DPP4 ESR1 3639/4885ESR2 3028/4885KMT2A 3602/4885

“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.