SCHEMBL626488

SCHEMBL626488

O=C(O)C1CCCCN1CCCCCC(S)CCS

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.35
ACE P12821 4/20 0.35
KDM4E B2RXH2 1/20 0.35
F2 P00734 1/20 0.35
REN P00797 1/20 0.35
LMNA P02545 1/20 0.35
LTA4H P09960 1/20 0.35
MAPT P10636 1/20 0.35
PEPD P12955 1/20 0.35
ALOX15 P16050 1/20 0.35
PTGS1 P23219 1/20 0.35
HTR2A P28223 1/20 0.35
PTGS2 P35354 1/20 0.35
HRH1 P35367 1/20 0.35
THPO P40225 1/20 0.35
PMP22 Q01453 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 1/20 0.33

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
SCHEMBL608771 0.96 ACE (0.39) ACEKDM4EF2RENLMNA
SCHEMBL624298 0.80 ACE (0.42) ACEKDM4EF2RENLMNA
SCHEMBL7910571 0.78 ACE (0.46) ACEKDM4EF2RENLMNA
SCHEMBL7974526 0.77 ACE (0.44) ACEKDM4EF2RENLMNA
SCHEMBL20210387 0.76 SMN1; SMN2 (0.49) SLC6A1LMNASMN1; SMN2CYP3A4CYP2D6
SCHEMBL5509944 0.76 SMN1; SMN2 (0.49) SLC6A1LMNASMN1; SMN2CYP3A4CYP2D6
SCHEMBL10623312 0.76 SMN1; SMN2 (0.49) SLC6A1LMNASMN1; SMN2CYP3A4CYP2D6
SCHEMBL8197078 0.75 ACE (0.46) ACEKDM4EF2RENLMNA
SCHEMBL7114016 0.74 SMN1; SMN2 (0.50) SLC6A1LMNASMN1; SMN2CYP3A4CYP2D6
SCHEMBL7114915 0.74 SMN1; SMN2 (0.50) SLC6A1LMNASMN1; SMN2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539317-A2 DIHYDROLIPOIC ACID DERIVATIVES COMPRISING NITRIC OXIDE AND THERAPEUTIC USES THEREOF Invasc Therapeutics, Inc. (US) 2013-01-02 EP disclosed
US-20120041025-A1 Dihydrolipoic Acid Derivatives Comprising Nitric Oxide and Therapeutic Uses Thereof CARMEL BIOSCIENCES, INC. 2012-02-16 US disclosed
US-20110257130-A1 Compositions and Methods for Treatment of Renin-Angiotensin Aldosterone System (RAAS)- Related Disorders CARMEL BIOSCIENCES, INC. 2011-10-20 US disclosed
EP-2358707-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF RENIN-ANGIOTENSIN ALDOSTERONE SYSTEM (RAAS)-RELATED DISORDERS Invasc Therapeutic, Inc. (US) 2011-08-24 EP disclosed
WO-2010096677-A2 DIHYDROLIPOIC ACID DERIVATIVES COMPRISING NITRIC OXIDE AND THERAPEUTIC USES THEREOF INVASC THERAPEUTICS, INC. (US) 2010-08-26 WO disclosed
WO-2010045575-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF RENIN-ANGIOTENSIN ALDOSTERONE SYSTEM (RAAS)-RELATED DISORDERS INVASC THERAPEUTICS, INC. (US) 2010-04-22 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 (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-20120041025-A1 Dihydrolipoic Acid Derivatives Comprising Nitric Oxide and Therapeutic Uses Thereof DLD, LDLR, ALOX15 SLC6A1 2592/4885ACE 340/4885KDM4E 4142/4885
US-20110257130-A1 Compositions and Methods for Treatment of Renin-Angiotensin Aldosterone System (RAAS)- Related Disorders REN, ACE, AGT SLC6A1 978/4885ACE 2/4885KDM4E 3913/4885

“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.