SCHEMBL13633860

SCHEMBL13633860

O=S(=O)(Nc1ccc(Br)c2cccnc12)c1ccc(-c2cnco2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 7/20 0.54
CKS1B P61024 5/20 0.51
SKP2 Q13309 5/20 0.51
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
NFKBIA P25963 2/20 0.47
RELA Q04206 2/20 0.47
PFKFB3 Q16875 1/20 0.45
GHSR Q92847 2/20 0.42
S1PR4 O95977 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
S1PR1 P21453 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL13633862 0.85 GHSR (0.53) SLC40A1CKS1BSKP2MEN1KMT2A
SCHEMBL13633914 0.83 SLC40A1 (0.61) SLC40A1CKS1BSKP2MEN1KMT2A
SCHEMBL13633765 0.76 GABRA1 (0.56) SLC40A1CKS1BSKP2MEN1KMT2A
SCHEMBL11973665 0.71 SLC40A1 (1.00) SLC40A1CKS1BSKP2MEN1KMT2A
SCHEMBL299325 0.71 CYP3A4 (0.54)
SCHEMBL15882628 0.70 PFKFB3 (0.53) MEN1KMT2APFKFB3GHSRTP53
SCHEMBL23613823 0.68 PFKFB3 (0.48) KMT2APFKFB3GHSRLMNATP53
SCHEMBL9930594 0.68 CCR2 (0.56) MEN1KMT2APFKFB3GHSRLMNA
SCHEMBL30854810 0.68 MEN1 (0.67) SLC40A1CKS1BSKP2MEN1KMT2A
SCHEMBL30553465 0.68 CKS1B (1.00) SLC40A1CKS1BSKP2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160068490-A1 UBIQUITINATION INHIBITORS MIDCAP FINANCIAL TRUST 2016-03-10 US claimed
US-10040766-B2 Ubiquitination inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-08-07 US disclosed
US-20160068490-A1 UBIQUITINATION INHIBITORS MIDCAP FINANCIAL TRUST 2016-03-10 US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 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 (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-20160068490-A1 UBIQUITINATION INHIBITORS MDM2, RBX1, NEDD4 SLC40A1 4627/4885CKS1B 206/4885SKP2 51/4885
US-10040766-B2 Ubiquitination inhibitors MDM2, RBX1, NEDD4 SLC40A1 4627/4885CKS1B 206/4885SKP2 51/4885
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PDE4B, PDE7B, PDE4A SLC40A1 4638/4885CKS1B 1509/4885SKP2 4067/4885

“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.