Sugi Predict

Sugi Predict / Compounds / SCHEMBL7924715

SCHEMBL7924715

SCHEMBL7924715

COC(=O)N[C@@H](CS)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ THRB P10828 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ ACE P12821 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KYNU Q16719 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ PDF Q9HBH1 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ FOLH1 Q04609 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32

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
SCHEMBL4984084 0.84 SMN1; SMN2 (0.43) SMN1; SMN2THRBALOX15KDM4EMAPT
SCHEMBL10505071 0.84 SMN1; SMN2 (0.43) SMN1; SMN2THRBALOX15KDM4EMAPT
SCHEMBL16001087 0.84 ACE (0.38) SMN1; SMN2THRBALOX15KDM4EMAPT
SCHEMBL1341495 0.83 CYP1A2 (0.46) NFKB1CYP2C9CYP2C19CA1CA2
SCHEMBL3819517 0.83 CYP1A2 (0.46) NFKB1CYP2C9CYP2C19CA1CA2
SCHEMBL295886 0.83 CYP1A2 (0.46) NFKB1CYP2C9CYP2C19CA1CA2
SCHEMBL14088106 0.83 SMN1; SMN2 (0.63) SMN1; SMN2THRBALOX15KDM4EMAPT
SCHEMBL2350210 0.83 KDM4E (0.63) SMN1; SMN2THRBALOX15KDM4EMAPT
SCHEMBL112331 0.83 SMN1; SMN2 (0.63) SMN1; SMN2THRBALOX15KDM4EMAPT
SCHEMBL1762251 0.83 THRB (0.47) SMN1; SMN2THRBALOX15KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6229041-B1 COUPLING CYSTEINE WITH COPPER OR COPPER OXIDE TO GENERATE METAL-AMINO COMPLEX, THEN CONTACTING WITH ARYL-HALIDE TO PRODUCE 3-ARYL-CYSTEINE; XENOBIOTIC METABOLIC PATHWAYS; TARGETTING HIV VIRUS F. HOFFMANN-LA ROCHE AG (CH) 2001-05-08 — — US claimed
US-10759748-B2 Compounds as L-cystine crystallization inhibitors and uses thereof NEW YORK UNIVERSITY (US) 2020-09-01 — — US disclosed
US-20150099806-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF NEW YORK UNIVERSITY 2015-04-09 — — US disclosed
US-8916609-B2 Compounds as L-cystine crystallization inhibitors and uses thereof NEW YORK UNIVERSITY (US) 2014-12-23 — — US disclosed
US-20120316236-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF NEW YORK UNIVERSITY 2012-12-13 — — 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 (3 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-20150099806-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF ATP6V1B1, GLS, REN SMN1; SMN2 4806/4885THRB 1186/4885ALOX15 698/4885
US-10759748-B2 Compounds as L-cystine crystallization inhibitors and uses thereof ATP6V1B1, GLS, REN SMN1; SMN2 4806/4885THRB 1186/4885ALOX15 698/4885
US-20120316236-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF ATP6V1B1, GLS, REN SMN1; SMN2 4806/4885THRB 1186/4885ALOX15 698/4885

“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.