SCHEMBL7222741

SCHEMBL7222741

CCC(NC(Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.66
ACE P12821 3/20 0.65
KDM4E B2RXH2 2/20 0.63
MAPT P10636 2/20 0.63
APAF1 O14727 1/20 0.63
POLB P06746 1/20 0.63
RECQL P46063 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
ITGB2 P05107 3/20 0.62
ICAM1 P05362 3/20 0.62
ITGAL P20701 3/20 0.62
SMN1; SMN2 Q16637 1/20 0.60
ECE1 P42892 4/20 0.60
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
MPO P05164 1/20 0.59
TSHR P16473 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL5869554 0.90 ALOX15 (0.63) ALOX15ACEKDM4EMAPTAPAF1
SCHEMBL8248646 0.90 ALOX15 (0.63) ALOX15ACEKDM4EMAPTAPAF1
SCHEMBL29114797 0.90 ACE (0.65) ALOX15ACEKDM4EMAPTAPAF1
SCHEMBL27916352 0.89 ALOX15 (0.62) ALOX15ACEKDM4EMAPTAPAF1
SCHEMBL19737124 0.88 ACE (0.70) ALOX15ACEKDM4EMAPTAPAF1
SCHEMBL16750046 0.88 ACE (0.70) ALOX15ACEKDM4EMAPTAPAF1
SCHEMBL1263833 0.88 KDM4E (0.72) ALOX15ACEKDM4EMAPTAPAF1
SCHEMBL15592745 0.88 ACE (0.70) ALOX15ACEKDM4EMAPTAPAF1
SCHEMBL1263822 0.88 KDM4E (0.72) ALOX15ACEKDM4EMAPTAPAF1
SCHEMBL8254531 0.87 ACE (0.68) ALOX15ACEKDM4EMAPTAPAF1

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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-6632830-B1 Blood pressure related disease or disorder, cell proliferation disorder, kidney disorder, kinetensin associated disorder, inflammation associated disorder, or an allergic disorder MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 ALOX15 1170/4885ACE 1/4885KDM4E 2662/4885

“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.