SCHEMBL12438531

SCHEMBL12438531

CCOC(=O)[C@H](N)CSSC[C@@H](N)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 4/20 0.40
METAP2 P50579 5/20 0.39
METAP1 P53582 5/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
GAA P10253 2/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CAD P27708 1/20 0.35

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
SCHEMBL12655937 1.00 ALOX15 (0.42) ALOX15ALDH1A1METAP2METAP1LMNA
SCHEMBL110808 1.00 ALOX15 (0.42) ALOX15ALDH1A1METAP2METAP1LMNA
SCHEMBL110806 1.00 ALOX15 (0.42) ALOX15ALDH1A1METAP2METAP1LMNA
SCHEMBL110807 1.00 ALOX15 (0.42) ALOX15ALDH1A1METAP2METAP1LMNA
Hydrochloric Acid SCHEMBL8853654 0.98 ALOX15 (0.41) ALOX15ALDH1A1METAP2METAP1LMNA
Hydrochloric Acid SCHEMBL1564997 0.98 ALOX15 (0.41) ALOX15ALDH1A1METAP2METAP1LMNA
Hydrochloric Acid SCHEMBL8853645 0.98 ALOX15 (0.41) ALOX15ALDH1A1METAP2METAP1LMNA
Hydrochloric Acid SCHEMBL1564995 0.98 ALOX15 (0.41) ALOX15ALDH1A1METAP2METAP1LMNA
Hydrochloric Acid SCHEMBL16798420 0.98 ALOX15 (0.41) ALOX15ALDH1A1METAP2METAP1LMNA
Hydrochloric Acid SCHEMBL8853649 0.98 ALOX15 (0.41) ALOX15ALDH1A1METAP2METAP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12064410-B2 Compositions and methods for stimulating ventilatory and/or respiratory CASE WESTERN RESERVE UNIVERSITY (US) 2024-08-20 US claimed
WO-2025123013-A1 COMPOSITIONS FOR TREATING ADDICTION, DEPENDENCE, WITHDRAWAL, AND/OR OPIOID INDUCED HYPERALGESIA CASE WESTERN RESERVE UNIVERSITY (US) 2025-06-12 WO 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
WO-2023003810-A1 COMPOSITIONS AND METHODS FOR TREATING OPIOID DEPENDENCE AND WITHDRAWAL CASE WESTERN RESERVE UNIVERSITY (US) 2023-01-26 WO 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
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 (6 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-12083089-B2 Compositions and methods for stimulating ventilatory and/or respiratory drive OPRM1, OPRK1, OPRD1 ALOX15 1043/4885ALDH1A1 2591/4885METAP2 1728/4885
US-20220273604-A1 COMPOSITIONS AND METHODS FOR STIMULATING VENTILATORY AND/OR RESPIRATORY DRIVE OPRM1, OPRK1, OPRD1 ALOX15 1043/4885ALDH1A1 2591/4885METAP2 1728/4885
US-12064410-B2 Compositions and methods for stimulating ventilatory and/or respiratory CTH, SLC25A20, CRH ALOX15 1121/4885ALDH1A1 3758/4885METAP2 1212/4885
US-20110177173-A1 COMPOUNDS AS L-CYSTINE CRYSTALLIZATION INHIBITORS AND USES THEREOF GLS, PKD1, CLIC1 ALOX15 619/4885ALDH1A1 1636/4885METAP2 600/4885
US-20250009706-A1 COMPOSITIONS AND METHODS FOR TREATING OPIOID DEPENDENCE AND WITHDRAWAL OPRM1, OPRK1, OPRD1 ALOX15 1219/4885ALDH1A1 630/4885METAP2 427/4885
US-20240139140-A9 COMPOSITIONS AND METHODS FOR STIMULATING VENTILATORY AND/OR RESPIRATORY DRIVE OPRM1, OPRK1, OPRD1 ALOX15 1043/4885ALDH1A1 2591/4885METAP2 1728/4885

“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.