SCHEMBL1449065

SCHEMBL1449065

Cc1cc(C(=O)OC(=O)CNC(=O)CNC(=O)[C@@H](N)CC2CCCCC2)oc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 2/20 0.34
CTSD P07339 4/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
METAP2 P50579 2/20 0.32
METAP1 P53582 2/20 0.32
RAB9A P51151 1/20 0.32
CTSS P25774 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL1449034 0.83 CTSL (0.47) NPC1MEN1POLBKMT2AMETAP2
SCHEMBL1449614 0.83 TDP1 (0.52) TDP1KMT2AMETAP2METAP1RAB9A
SCHEMBL266063 0.81 CTSS (0.43) TDP1MEN1POLBKMT2ACTSS
SCHEMBL1449532 0.76 AAK1 (0.35) AAK1TDP1METAP2METAP1CTSS
Hydrochloric Acid SCHEMBL266603 0.75 GAA (0.43) POLBMETAP2CTSS
SCHEMBL1449009 0.75 CIT (0.35) AAK1METAP2METAP1
SCHEMBL1449686 0.74 SMN1; SMN2 (0.45) NPC1CTSDMEN1POLBKMT2A
SCHEMBL1449348 0.74 MMP3 (0.39) MEN1KMT2ARAB9A
SCHEMBL1449052 0.74 ALDH1A1 (0.44) AAK1MEN1POLBKMT2AMETAP2
SCHEMBL2492378 0.72 CTSS (0.37) TDP1MEN1POLBKMT2ACTSS

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-7910556-B2 PAR-2 agonist KOWA COMPANY, LTD. (JP) 2011-03-22 US disclosed
US-20090131330-A1 PAR-2 AGONIST KOWA CO., LTD. (JP) 2009-05-21 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-20090131330-A1 PAR-2 AGONIST F2RL1, CNR2, FFAR2 AAK1 1179/4885TAS1R3 876/4885TAS1R1 953/4885

“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.