SCHEMBL3487199

SCHEMBL3487199

CCCCN1C(=O)C(Nc2ccc3sc(C(=O)OCC)c(C)c3c2)=C(c2ccccc2)S1(O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 16/20 0.39
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3487200 0.93 DHODH (0.40) DHODHTSHRHSD17B10ALDH1A1TP53
SCHEMBL3486973 0.91 ADORA2B (0.39) DHODHALDH1A1KDM4ETP53
SCHEMBL4466726 0.91 MAPT (0.36) DHODHTSHRHSD17B10KDM4ETP53
SCHEMBL3486976 0.84 ADORA2B (0.40) DHODHALDH1A1TP53LMNA
SCHEMBL4486724 0.76 BTK (0.36) DHODHHSD17B10ALDH1A1KDM4ELMNA
SCHEMBL3488025 0.72 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2A
SCHEMBL4486723 0.71 BTK (0.36) DHODHHSD17B10ALDH1A1KDM4ELMNA
SCHEMBL3486901 0.71 SMN1; SMN2 (0.38) ALDH1A1KDM4ETP53LMNAKMT2A
SCHEMBL3487865 0.70 SMN1; SMN2 (0.35) TSHRHSD17B10TP53KMT2A
SCHEMBL3488389 0.70 SMN1; SMN2 (0.35) TSHRHSD17B10TP53KMT2A

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
US-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2010-01-21 US claimed
US-7582629-B2 Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US claimed
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 US claimed
US-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-7582629-B2 Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US disclosed
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 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 (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-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR NR1H2, NR1H3, NR1I2 DHODH 2862/4885TSHR 540/4885HSD17B10 223/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 DHODH 2829/4885TSHR 523/4885HSD17B10 220/4885

“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.