Sugi Predict

Sugi Predict / Compounds / SCHEMBL11940451

SCHEMBL11940451

SCHEMBL11940451

COC(=O)CNC(=O)[C@@H](C)Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.63
▸ TSHR P16473 5/20 0.63
▸ ALDH1A1 P00352 5/20 0.57
▸ RAB9A P51151 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ ALOX15 P16050 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ CYP2D6 P10635 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ MAPK1 P28482 3/20 0.54
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ACE P12821 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ HPGD P15428 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49

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
SCHEMBL19844611 0.87 CYP3A4 (0.64) CYP3A4TSHRALDH1A1RAB9AKDM4E
SCHEMBL5540459 0.85 CYP3A4 (0.69) CYP3A4TSHRALDH1A1RAB9AKDM4E
SCHEMBL19762771 0.85 CYP3A4 (0.49) CYP3A4TSHRALDH1A1RAB9AKDM4E
SCHEMBL7635307 0.83 SLC7A5 (0.53) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6162382 0.83 SLC7A5 (0.53) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL24822608 0.83 CYP3A4 (0.65) CYP3A4TSHRALDH1A1RAB9AKDM4E
SCHEMBL14963149 0.83 CYP3A4 (0.65) CYP3A4TSHRALDH1A1RAB9AKDM4E
SCHEMBL29341178 0.82 CYP3A4 (0.53) CYP3A4TSHRALDH1A1RAB9AKDM4E
SCHEMBL6927203 0.82 CTSS (0.48) CYP3A4ALDH1A1CYP1A2CYP2D6ACE
Hydrochloric Acid SCHEMBL11202440 0.82 SLC7A5 (0.51) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19

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-20180002709-A1 RIBOSOME-MEDIATED INCORPORATION OF PEPTIDES AND PEPTIDOMIMETICS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-01-04 — — US disclosed
US-9243028-B2 Facile amide formation via S-nitroso thioacid intermediates WASHINGTON STATE UNIVERSITY (US) 2016-01-26 — — US disclosed
US-20120190820-A1 FACILE AMIDE FORMATION VIA S-NITROSO THIOACID INTERMEDIATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-07-26 — — 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 (2 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-20180002709-A1 RIBOSOME-MEDIATED INCORPORATION OF PEPTIDES AND PEPTIDOMIMETICS NPEPPS, DNPEP, AARS1 CYP3A4 4118/4885TSHR 3698/4885ALDH1A1 4835/4885
US-20120190820-A1 FACILE AMIDE FORMATION VIA S-NITROSO THIOACID INTERMEDIATES NAAA, TST, ASNS CYP3A4 1858/4885TSHR 298/4885ALDH1A1 3056/4885

“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.