SCHEMBL414209

SCHEMBL414209

CCCC(C)CC(S)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 3/20 0.58
TDP1 Q9NUW8 2/20 0.44
CHRM1 P11229 1/20 0.44
AKR1A1 P14550 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
FOLH1 Q04609 1/20 0.41
TSHR P16473 1/20 0.41
GRIK1 P39086 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
GRIK2 Q13002 1/20 0.39

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
SCHEMBL8517982 0.82 RNPEP (0.62) RNPEPTDP1FOLH1SLC1A3SLC1A2
SCHEMBL2241772 0.79 CHRM1 (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL413958 0.79 ACE2 (0.48) RNPEPTDP1CHRM1AKR1A1CHRM3
SCHEMBL13361322 0.79 TSHR (0.38) RNPEPTDP1CHRM1AKR1A1CHRM3
SCHEMBL2976825 0.79
SCHEMBL2977541 0.79
SCHEMBL204061 0.79
SCHEMBL21268894 0.77 CHRM1 (0.48) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL21268934 0.77 CHRM1 (0.48) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL21269066 0.77 CHRM1 (0.48) TDP1CHRM1AKR1A1CHRM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240779-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF EPILEPSY AND NEUROLOGICAL DISORDERS CELLIX BIO PRIVATE LTD (IN) 2020-10-28 EP disclosed
US-9932294-B2 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2018-04-03 US disclosed
EP-2542547-B1 COMPOUNDS, COMPOSITIONS, FORMULATIONS AND THEIR USES IN THE TREATMENT OF DISEASES RELATED TO COPPER RETENTION OR HEPATIC DISORDERS KRISANI BIOSCIENCE (P) LTD (IN) 2018-01-24 EP disclosed
EP-3240779-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF EPILEPSY AND NEUROLOGICAL DISORDERS Cellixbio Private Limited (IN) 2017-11-08 EP disclosed
EP-3226855-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE SCLEROSIS CELLIX BIO PRIVATE LIMITED (IN) 2017-10-11 EP disclosed
US-9771355-B2 Compositions and methods for the treatment of epilepsy and neurological disorders CELLIX BIO PRIVATE LIMITED (IN) 2017-09-26 US disclosed
WO-2017060914-A2 PENICILLAMINE AND ITS DERIVATIVES ARE USED IN THE TREATMENT OF COPPER TOXICITY AND NASH Krisani Biosciences (P) Ltd. (IN) 2017-04-13 WO disclosed
EP-2580204-B1 CYSTEAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NASH KRISANI BIOSCIENCE (P) LTD (IN) 2017-03-08 EP disclosed
WO-2016088132-A9 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE SCLEROSIS CELLIX BIO PRIVATE LIMITED (IN) 2016-09-01 WO disclosed
WO-2016088132-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE SCLEROSIS CELLIX BIO PRIVATE LIMITED (IN) 2016-06-09 WO disclosed
WO-2011117749-A1 COMPOUND AND METHOD FOR THE TREATMENT OF PAIN KANDULA MAHESH (IN) 2011-09-29 WO disclosed
US-20110237658-A1 COMPOUND AND METHOD FOR THE TREATMENT OF PAIN KRISHANI BIOSCIENCES (P) LTD (IN) 2011-09-29 US disclosed
WO-2011107877-A2 COMPOUNDS AND COMPOSITIONS AND THEIR USE IN THE TREATMENT OF DISEASES RELATED TO COPPER RETENTION KANDULA MAHESH (IN) 2011-09-09 WO disclosed
WO-2011107867-A2 COMPOUND AND COMPOSITION AND THEIR USE IN THE TREATMENT OF DISEASES RELATED TO COPPER RETENTION KANDULA MAHESH (IN) 2011-09-09 WO disclosed
WO-2011107881-A2 COMPOUNDS, COMPOSITIONS, FORMULATIONS AND THEIR USES THEREOF KANDULA MAHESH (IN) 2011-09-09 WO disclosed
WO-2011107870-A2 COMPOUNDS AND COMPOSITIONS AND THEIR USE IN THE TREATMENT OF DISEASES RELATED TO COPPER RETENTION KANDULA MAHESH (IN) 2011-09-09 WO disclosed
US-20110218238-A1 COMPOUNDS, COMPOSITIONS, FORMULATIONS AND THEIR USES THEREOF KRISHANI BIOSCIENCES (P) LTD (IN) 2011-09-08 US disclosed
US-20110218237-A1 COMPOUND AND COMPOSITION AND THEIR USES THEREOF KRISHANI BIOSCIENCES (P) LTD. (IN) 2011-09-08 US disclosed
US-20110218236-A1 COMPOUND AND COMPOSITION AND THEIR USES THEREOF KRISHANI BIOSCIENCES (P) LTD (IN) 2011-09-08 US disclosed
US-20110218235-A1 COMPOUND AND COMPOSITION AND THEIR USES THEREOF KRISHANI BIOSCIENCES (P) LTD (IN) 2011-09-08 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 (5 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-20110218237-A1 COMPOUND AND COMPOSITION AND THEIR USES THEREOF SLC26A4, SLC26A3, SLC10A1 RNPEP 4679/4885TDP1 2792/4885CHRM1 659/4885
US-20110218236-A1 COMPOUND AND COMPOSITION AND THEIR USES THEREOF SLC26A4, SLC26A3, SLC10A1 RNPEP 4679/4885TDP1 2792/4885CHRM1 659/4885
US-20110237658-A1 COMPOUND AND METHOD FOR THE TREATMENT OF PAIN TRPV1, TPH1, VIP RNPEP 4585/4885TDP1 1856/4885CHRM1 107/4885
US-20110218238-A1 COMPOUNDS, COMPOSITIONS, FORMULATIONS AND THEIR USES THEREOF SLC10A1, ABCB11, NPC1L1 RNPEP 4442/4885TDP1 2787/4885CHRM1 1651/4885
US-20110218235-A1 COMPOUND AND COMPOSITION AND THEIR USES THEREOF SLC10A1, CYP7A1, SLC39A11 RNPEP 4513/4885TDP1 2971/4885CHRM1 1460/4885

“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.