Sugi Predict

Sugi Predict / Compounds / SCHEMBL7538467

SCHEMBL7538467

SCHEMBL7538467

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

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BHMT Q93088 8/20 0.41
▸ BHMT2 Q9H2M3 1/20 0.41
▸ KIF11 P52732 1/20 0.38
▸ ARG1 P05089 1/20 0.38
▸ ARG2 P78540 1/20 0.38
▸ NOS2 P35228 4/20 0.38
▸ NOS1 P29475 3/20 0.38
▸ NOS3 P29474 2/20 0.38

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
SCHEMBL22381012 1.00 BHMT (0.41) BHMTBHMT2KIF11ARG1ARG2
SCHEMBL7538461 1.00 BHMT (0.41) BHMTBHMT2KIF11ARG1ARG2
SCHEMBL14227043 0.91 NOS2 (0.38) BHMTBHMT2ARG1ARG2NOS2
SCHEMBL14614801 0.86 KIF11 (0.39) KIF11ARG1ARG2NOS2NOS1
SCHEMBL24335665 0.85 METAP2 (0.47) BHMTBHMT2NOS2NOS1NOS3
SCHEMBL5641243 0.85 KIF11 (0.38) KIF11ARG1ARG2NOS2NOS1
SCHEMBL27622257 0.85 KIF11 (0.38) KIF11ARG1ARG2NOS2NOS1
SCHEMBL5353336 0.83 KIF11 (0.38) KIF11ARG1ARG2NOS2NOS1
Hydrochloric Acid SCHEMBL6776435 0.83 METAP2 (0.46) BHMTBHMT2NOS2NOS1NOS3
Hydrochloric Acid SCHEMBL6776434 0.83 METAP2 (0.46) BHMTBHMT2NOS2NOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
US-20120316236-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF NEW YORK UNIVERSITY 2012-12-13 — — US disclosed
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 — — EP 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 BHMT 88/4885BHMT2 223/4885KIF11 4357/4885
US-10759748-B2 Compounds as L-cystine crystallization inhibitors and uses thereof ATP6V1B1, GLS, REN BHMT 88/4885BHMT2 223/4885KIF11 4357/4885
US-20120316236-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF ATP6V1B1, GLS, REN BHMT 88/4885BHMT2 223/4885KIF11 4357/4885

“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.