SCHEMBL6693049

SCHEMBL6693049

O=S(=O)(Nc1cscc1-c1ccc(Cl)s1)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 2/20 0.43
PGAM1 P18669 1/20 0.35
ITGAV P06756 1/20 0.35
MCL1 Q07820 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NMT1 P30419 2/20 0.33
HSD11B1 P28845 1/20 0.33
PRNP P04156 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CCR1 P32246 1/20 0.33
CYP2C19 P33261 1/20 0.33
CCR2 P41597 1/20 0.33
CCR4 P51679 1/20 0.33
NFKBIA P25963 1/20 0.33
RELA Q04206 1/20 0.33
PTGES2 Q9H7Z7 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
SCHEMBL6610280 0.92 PFKFB3 (0.40) SLC40A1NMT1PRNPRXFP1NFKBIA
SCHEMBL6694171 0.79 SLC40A1 (0.48) SLC40A1PGAM1ITGAVMCL1HPGD
SCHEMBL6692655 0.79 SLC40A1 (0.48) SLC40A1ITGAV
SCHEMBL2762455 0.77 KDM1A (0.49) TSHRHSD11B1CYP3A4CYP2C9CYP2C19
SCHEMBL6611783 0.77 SLC40A1 (0.41) SLC40A1PGAM1ITGAVMCL1HPGD
SCHEMBL6615207 0.77 MAPT (0.45) SLC40A1ITGAVMCL1HPGDTSHR
SCHEMBL6613632 0.76 SLC40A1 (0.49) SLC40A1HSD11B1CCR4NFKBIARELA
SCHEMBL5831592 0.75 KMT2A (0.43) SLC40A1HSD11B1
SCHEMBL6690050 0.74 SLC40A1 (0.49) SLC40A1CYP3A4CYP2C9CYP2C19RELA
SCHEMBL5831618 0.73 SLC40A1 (0.40) SLC40A1ITGAVTSHRHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004112779-A1 NEW USE VII BIOVITRUM AB (SE) 2004-12-29 WO claimed
US-20030130279-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2003-07-10 US claimed
WO-2019075394-A1 COMPOUNDS FOR TREATMENT OF EMOTIONAL/PSYCHOLOGICAL SYMPTOMS IN FRAGILE X SYNDROME VANDERKLISH PETER (US) 2019-04-18 WO disclosed
WO-2004112779-A1 NEW USE VII BIOVITRUM AB (SE) 2004-12-29 WO disclosed
US-20030130279-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2003-07-10 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 (1 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-20030130279-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD3B1 SLC40A1 2287/4885PGAM1 386/4885ITGAV 4345/4885

“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.