SCHEMBL1768417

SCHEMBL1768417

Cn1cncc1CCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
TBXAS1 P24557 7/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
PTGIS Q16647 1/20 0.40
CHRM5 P08912 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EGLN3 Q9H6Z9 2/20 0.38
HDAC6 Q9UBN7 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CYP2C9 P11712 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL9960829 0.84 TBXAS1 (0.42) CYP11B1CYP11B2TBXAS1CHRM5KDM4E
SCHEMBL31369919 0.82 NAMPT (0.41) CYP11B1CYP11B2TBXAS1PTGS1PTGS2
SCHEMBL874048 0.81 CHRM5 (0.41) CHRM5KDM4EALDH1A1CHRM4CHRM1
SCHEMBL10425365 0.80 CHRM5 (0.43) CHRM5KDM4ECHRM4CHRM1CYP2C9
Hydrochloric Acid SCHEMBL6775586 0.79 KDM4E (0.40) TBXAS1CHRM5KDM4EALDH1A1CHRM4
SCHEMBL18381246 0.79 SMN1; SMN2 (0.46) TBXAS1PTGS1PTGS2PTGISHDAC6
Trifluoroacetic Acid SCHEMBL1311021 0.79 CYP11B1 (0.53) CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL6181432 0.78 TBXAS1 (0.48) CYP11B1CYP11B2TBXAS1ALDH1A1
SCHEMBL3468050 0.78 TBXAS1 (0.41) CYP11B1CYP11B2TBXAS1PTGS1PTGS2
SCHEMBL25217416 0.77 NAMPT (0.47) CYP11B1CYP11B2CHRM5CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 CN disclosed
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US disclosed
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 EP disclosed
WO-2011060937-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY POLYPHOR AG (CH) 2011-05-26 WO disclosed
WO-2011060937-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY POLYPHOR AG (CH) 2011-05-26 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-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 CYP11B1 4182/4885CYP11B2 4307/4885TBXAS1 3006/4885

“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.