Sugi Predict

Sugi Predict / Compounds / SCHEMBL288446

SCHEMBL288446

SCHEMBL288446

Nc1ccccc1C[C@H](N)CCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CPA3 P15088 1/20 0.44
▸ ANPEP P15144 3/20 0.43
▸ ENPEP Q07075 3/20 0.43
▸ SLC15A1 P46059 1/20 0.42
▸ S1PR2 O95136 1/20 0.42
▸ S1PR1 P21453 1/20 0.42
▸ S1PR3 Q99500 1/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ NR4A2 P43354 1/20 0.39
▸ NAALAD2 Q9Y3Q0 1/20 0.38
▸ GABRP O00591 2/20 0.37
▸ GABRD O14764 2/20 0.37
▸ GABRA1 P14867 2/20 0.37
▸ GABRB1 P18505 2/20 0.37
▸ GABRG2 P18507 2/20 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
SCHEMBL27999551 1.00 CYP1A2 (0.44) CYP1A2ALDH1A1CYP2D6TSHRCYP2C19
SCHEMBL12475374 0.83 AKR1B1 (0.52) CYP1A2ALDH1A1CYP2D6TSHRCYP2C19
SCHEMBL288805 0.83 DPP4 (0.41) CPA3S1PR2S1PR1LTA4HALPI
SCHEMBL27999736 0.83 DPP4 (0.41) CPA3S1PR2S1PR1LTA4HALPI
SCHEMBL5580928 0.82 DPP4 (0.47) CYP1A2ALDH1A1CYP2D6TSHRCYP2C19
SCHEMBL29133247 0.82 PRSS1 (0.43) CYP1A2ALDH1A1CYP2D6TSHRCYP2C19
SCHEMBL289166 0.82 ALDH1A1 (0.49) CYP1A2ALDH1A1CYP2D6TSHRCYP2C19
SCHEMBL289226 0.82 FOLH1 (0.45) CYP1A2ALDH1A1CYP2D6TSHRCYP2C19
SCHEMBL288778 0.81 KMT2A (0.58) CYP1A2ALDH1A1CYP2D6TSHRCYP2C19
SCHEMBL5324786 0.80 TDP1 (0.54) CYP1A2SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 — — US claimed
EP-2836485-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2018-01-10 — — EP claimed
EP-2499148-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2017-01-18 — — EP claimed
US-9512139-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2016-12-06 — — US claimed
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2015-02-19 — — US claimed
EP-2836485-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS Polyphor Ag (CH) 2015-02-18 — — EP claimed
EP-2462147-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2014-11-12 — — EP claimed
WO-2013139697-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2013-09-26 — — WO claimed
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-10-25 — — US claimed
EP-2499148-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS Polyphor Ag (CH) 2012-09-19 — — EP claimed
WO-2011014973-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2011-02-10 — — WO claimed
EP-3087094-B1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS POLYPHOR AG (CH) 2022-06-01 — — EP disclosed
US-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors POLYPHOR AG (CH) 2019-04-30 — — US disclosed
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 — — US disclosed
EP-2836485-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2018-01-10 — — EP disclosed
US-8865656-B2 Beta-hairpin peptidomimetics having CXCR4 antagonizing activity POLYPHOR AG (CH) 2014-10-21 — — US disclosed
WO-2013139697-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2013-09-26 — — WO disclosed
US-20120135942-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2012-05-31 — — US disclosed
EP-2427476-A1 BETA-HAIRPIN PEPTIDOMIMETICS HAVING CXCR4 ANTAGONIZING ACTIVITY Polyphor Ag (CH) 2012-03-14 — — EP disclosed
WO-2010127704-A1 BETA-HAIRPIN PEPTIDOMIMETICS HAVING CXCR4 ANTAGONIZING ACTIVITY POLYPHOR AG (CH) 2010-11-11 — — 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 (5 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-20120135942-A1 BETA-HAIRPIN PEPTIDOMIMETICS CXCR4, CXCL12, CXCR6 CYP1A2 4437/4885ALDH1A1 3553/4885CYP2D6 3405/4885
US-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors SERPINB1, ELANE, XPNPEP1 CYP1A2 2817/4885ALDH1A1 4577/4885CYP2D6 2614/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS CYP1A2 3680/4885ALDH1A1 4415/4885CYP2D6 3397/4885
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS KCNB1, KCNAB1, KCNMB1 CYP1A2 3255/4885ALDH1A1 4142/4885CYP2D6 3327/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS CYP1A2 3680/4885ALDH1A1 4415/4885CYP2D6 3397/4885

“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.