SCHEMBL1768595

SCHEMBL1768595

CC([C@H](N)C(=O)O)n1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 7/20 0.43
KDM4E B2RXH2 1/20 0.41
CYP17A1 P05093 2/20 0.40
SLC7A5 Q01650 1/20 0.39
TBXAS1 P24557 2/20 0.39
CYP19A1 P11511 2/20 0.37
KMT2A Q03164 2/20 0.36
CYP24A1 Q07973 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
SCHEMBL1768591 1.00 CYP26A1 (0.43) CYP26A1KDM4ECYP17A1SLC7A5TBXAS1
SCHEMBL1768589 1.00 CYP26A1 (0.43) CYP26A1KDM4ECYP17A1SLC7A5TBXAS1
SCHEMBL27968394 0.81 CYP26A1 (0.45) CYP26A1KDM4ECYP17A1TBXAS1CYP19A1
Valine SCHEMBL11057433 0.81 SLC7A5 (0.48) CYP26A1KDM4ECYP17A1SLC7A5TBXAS1
SCHEMBL20518637 0.77 KDM4E (0.45) CYP26A1KDM4ECYP17A1TBXAS1CYP19A1
SCHEMBL2585276 0.77 KDM4E (0.45) CYP26A1KDM4ECYP17A1TBXAS1CYP19A1
Hydrochloric Acid SCHEMBL28339290 0.76 TBXAS1 (0.40) CYP26A1KDM4ECYP17A1TBXAS1CYP19A1
Bromide SCHEMBL28354965 0.76 KDM4E (0.44) CYP26A1KDM4ECYP17A1TBXAS1CYP19A1
Hydrochloric Acid SCHEMBL27966647 0.76 KDM4E (0.44) CYP26A1KDM4ECYP17A1TBXAS1CYP19A1
Bicarbonate SCHEMBL28505567 0.75 KDM4E (0.46) CYP26A1KDM4ECYP17A1TBXAS1CYP19A1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753446-B2 Beta-hairpin peptidomimetics POLYPHOR AG (CH) 2023-09-12 US disclosed
US-11629171-B2 Beta-hairpin peptidomimetics SPEXIS AG (CH) 2023-04-18 US disclosed
EP-3201219-B1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2021-11-17 EP disclosed
EP-3201218-B1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2021-11-03 EP disclosed
US-20210284693-A1 BETA-HAIRPIN PEPTIDOMIMETICS SPEXIS AG (CH) 2021-09-16 US disclosed
EP-3280723-B1 BACKBONE-CYCLIZED PEPTIDOMIMETICS POLYPHOR AG (CH) 2021-01-06 EP disclosed
US-10829520-B2 Beta-hairpin peptidomimetics POLYPHOR AG (CH) 2020-11-10 US disclosed
EP-3707153-A1 BETA-HAIRPIN PEPTIDOMIMETICS Polyphor Ag (CH) 2020-09-16 EP disclosed
US-10730911-B2 Backbone-cyclized peptidomimetics with GLP-1R modulating activity UNIVERSITAT ZURICH (CH) 2020-08-04 US disclosed
US-20200231629-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2020-07-23 US disclosed
US-20160052971-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2016-02-25 US disclosed
EP-2978772-A1 BETA-HAIRPIN PEPTIDOMIMETICS Polyphor AG (CH) 2016-02-03 EP disclosed
EP-2978771-A1 BETA-HAIRPIN PEPTIDOMIMETICS Polyphor Ag (CH) 2016-02-03 EP disclosed
WO-2014161782-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2014-10-09 WO disclosed
WO-2014161781-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2014-10-09 WO disclosed
US-20140287986-A1 TEMPLATE-FIXED PEPTIDOMIMETICS AS INHIBITORS OF FPR1 POLYPHOR AG (CH) 2014-09-25 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20140287986-A1 TEMPLATE-FIXED PEPTIDOMIMETICS AS INHIBITORS OF FPR1 FPR1, FPR3, FPR2 CYP26A1 3133/4885KDM4E 4878/4885CYP17A1 4012/4885
US-20200231629-A1 BETA-HAIRPIN PEPTIDOMIMETICS BET1, BACH1, POLL CYP26A1 4393/4885KDM4E 3588/4885CYP17A1 3339/4885
US-10730911-B2 Backbone-cyclized peptidomimetics with GLP-1R modulating activity GLP1R, GIPR, SSTR1 CYP26A1 3547/4885KDM4E 4766/4885CYP17A1 3980/4885
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 CYP26A1 3175/4885KDM4E 4722/4885CYP17A1 3715/4885
US-11629171-B2 Beta-hairpin peptidomimetics POLL, POLQ, HBZ CYP26A1 4329/4885KDM4E 3552/4885CYP17A1 2067/4885
US-20160052971-A1 BETA-HAIRPIN PEPTIDOMIMETICS C1S, POLL, BACE1 CYP26A1 3650/4885KDM4E 4764/4885CYP17A1 2307/4885
US-20210284693-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLL, POLQ, POLM CYP26A1 4193/4885KDM4E 3686/4885CYP17A1 1974/4885
US-10829520-B2 Beta-hairpin peptidomimetics POLQ, POLL, POLM CYP26A1 4411/4885KDM4E 4296/4885CYP17A1 2605/4885
US-11753446-B2 Beta-hairpin peptidomimetics POLL, BACE1, C1S CYP26A1 3672/4885KDM4E 4761/4885CYP17A1 2276/4885

“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.