SCHEMBL12438525

SCHEMBL12438525

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.37
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC1A1 P43005 1/20 0.32
CA14 Q9ULX7 1/20 0.32
LTA4H P09960 1/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
NOS3 P29474 1/20 0.32
GFPT1 Q06210 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.31

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
SCHEMBL111171 1.00 KIF11 (0.43) KIF11SMN1; SMN2ITGB1ITGA4CA1
SCHEMBL111173 1.00 KIF11 (0.43) KIF11SMN1; SMN2ITGB1ITGA4CA1
SCHEMBL111172 1.00 KIF11 (0.43) KIF11SMN1; SMN2ITGB1ITGA4CA1
SCHEMBL12438515 1.00 KIF11 (0.43) KIF11SMN1; SMN2ITGB1ITGA4CA1
Hydrochloric Acid SCHEMBL1565157 0.98 KIF11 (0.42) KIF11SMN1; SMN2ITGB1ITGA4CA1
Hydrochloric Acid SCHEMBL2801871 0.98 KIF11 (0.42) KIF11SMN1; SMN2ITGB1ITGA4CA1
Hydrochloric Acid SCHEMBL1565156 0.98 KIF11 (0.42) KIF11SMN1; SMN2ITGB1ITGA4CA1
Hydrochloric Acid SCHEMBL29401888 0.98 KIF11 (0.42) KIF11SMN1; SMN2ITGB1ITGA4CA1
Hydrochloric Acid SCHEMBL1819809 0.98 KIF11 (0.42) KIF11SMN1; SMN2ITGB1ITGA4CA1
Water SCHEMBL28591945 0.98 KIF11 (0.42) KIF11SMN1; SMN2ITGB1ITGA4CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250009706-A1 COMPOSITIONS AND METHODS FOR TREATING OPIOID DEPENDENCE AND WITHDRAWAL CASE WESTERN RESERVE UNIVERSITY 2025-01-09 US claimed
US-12083089-B2 Compositions and methods for stimulating ventilatory and/or respiratory drive CASE WESTERN RESERVE UNIVERSITY (US) 2024-09-10 US claimed
US-12064410-B2 Compositions and methods for stimulating ventilatory and/or respiratory CASE WESTERN RESERVE UNIVERSITY (US) 2024-08-20 US claimed
EP-4373484-A1 COMPOSITIONS AND METHODS FOR TREATING OPIOID DEPENDENCE AND WITHDRAWAL CASE WESTERN RESERVE UNIVERSITY (US) 2024-05-29 EP claimed
US-20240139140-A9 COMPOSITIONS AND METHODS FOR STIMULATING VENTILATORY AND/OR RESPIRATORY DRIVE CASE WESTERN RESERVE UNIVERSITY 2024-05-02 US claimed
WO-2023003810-A1 COMPOSITIONS AND METHODS FOR TREATING OPIOID DEPENDENCE AND WITHDRAWAL CASE WESTERN RESERVE UNIVERSITY (US) 2023-01-26 WO claimed
US-20220273604-A1 COMPOSITIONS AND METHODS FOR STIMULATING VENTILATORY AND/OR RESPIRATORY DRIVE UNIV CASE WESTERN RESERVE (US) 2022-09-01 US claimed
US-12486241-B2 Cystine diamide analogs for cystinuria RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2025-12-02 US disclosed
US-20250009706-A1 COMPOSITIONS AND METHODS FOR TREATING OPIOID DEPENDENCE AND WITHDRAWAL CASE WESTERN RESERVE UNIVERSITY 2025-01-09 US disclosed
US-12083089-B2 Compositions and methods for stimulating ventilatory and/or respiratory drive CASE WESTERN RESERVE UNIVERSITY (US) 2024-09-10 US disclosed
US-12064410-B2 Compositions and methods for stimulating ventilatory and/or respiratory CASE WESTERN RESERVE UNIVERSITY (US) 2024-08-20 US disclosed
EP-4373484-A1 COMPOSITIONS AND METHODS FOR TREATING OPIOID DEPENDENCE AND WITHDRAWAL CASE WESTERN RESERVE UNIVERSITY (US) 2024-05-29 EP disclosed
US-20240139140-A9 COMPOSITIONS AND METHODS FOR STIMULATING VENTILATORY AND/OR RESPIRATORY DRIVE CASE WESTERN RESERVE UNIVERSITY 2024-05-02 US disclosed
US-20220273604-A1 COMPOSITIONS AND METHODS FOR STIMULATING VENTILATORY AND/OR RESPIRATORY DRIVE UNIV CASE WESTERN RESERVE (US) 2022-09-01 US disclosed
US-9040261-B2 Compounds as L-cystine crystallization inhibitors and uses thereof NEW YORK UNIVERSITY (US) 2015-05-26 US disclosed
US-9040261-B2 Compounds as L-cystine crystallization inhibitors and uses thereof NEW YORK UNIVERSITY (US) 2015-05-26 US disclosed
US-8450089-B2 Compounds as L-cystine crystallization inhibitors and uses thereof NEW YORK UNIVERSITY (US) 2013-05-28 US disclosed
US-8450089-B2 Compounds as L-cystine crystallization inhibitors and uses thereof NEW YORK UNIVERSITY (US) 2013-05-28 US disclosed
US-20110177173-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-07-21 US disclosed
WO-2011062640-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF NEW YORK UNIVERSITY (US) 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 (7 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-12486241-B2 Cystine diamide analogs for cystinuria CTH, CBS, SLC7A11 KIF11 4117/4885SMN1; SMN2 4177/4885ITGB1 4751/4885
US-12083089-B2 Compositions and methods for stimulating ventilatory and/or respiratory drive OPRM1, OPRK1, OPRD1 KIF11 2253/4885SMN1; SMN2 1109/4885ITGB1 4614/4885
US-20220273604-A1 COMPOSITIONS AND METHODS FOR STIMULATING VENTILATORY AND/OR RESPIRATORY DRIVE OPRM1, OPRK1, OPRD1 KIF11 2253/4885SMN1; SMN2 1109/4885ITGB1 4614/4885
US-12064410-B2 Compositions and methods for stimulating ventilatory and/or respiratory CTH, SLC25A20, CRH KIF11 3540/4885SMN1; SMN2 581/4885ITGB1 4828/4885
US-20110177173-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF GLS, PKD1, CLIC1 KIF11 4118/4885SMN1; SMN2 4804/4885ITGB1 3178/4885
US-20250009706-A1 COMPOSITIONS AND METHODS FOR TREATING OPIOID DEPENDENCE AND WITHDRAWAL OPRM1, OPRK1, OPRD1 KIF11 2768/4885SMN1; SMN2 2220/4885ITGB1 4147/4885
US-20240139140-A9 COMPOSITIONS AND METHODS FOR STIMULATING VENTILATORY AND/OR RESPIRATORY DRIVE OPRM1, OPRK1, OPRD1 KIF11 2253/4885SMN1; SMN2 1109/4885ITGB1 4614/4885

“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.