SCHEMBL3488060

SCHEMBL3488060

CCN1C(=O)C(Nc2ccc3oc(C(C)=O)cc3c2)=C(c2ccc(C(F)(F)F)cc2)S1(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
ADAMTS4 O75173 4/20 0.38
MMP1 P03956 4/20 0.38
MMP2 P08253 4/20 0.38
MMP3 P08254 4/20 0.38
MMP7 P09237 4/20 0.38
MMP9 P14780 4/20 0.38
MMP13 P45452 4/20 0.38
MMP14 P50281 4/20 0.38
ADAMTS5 Q9UNA0 4/20 0.38
ADAM17 P78536 3/20 0.38
FFAR1 O14842 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL3487918 0.80 SMN1; SMN2 (0.38) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL4478931 0.78 ASAH1 (0.35) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL3487585 0.78 SMN1; SMN2 (0.36) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL3487663 0.77 SMN1; SMN2 (0.41) PIM1PIM2KDM4EALDH1A1LMNA
SCHEMBL5607207 0.76 PIM1 (0.37) PIM1PIM2ADAMTS4MMP1MMP2
SCHEMBL3486895 0.73 SMN1; SMN2 (0.38) PIM1PIM2ALDH1A1LMNAHPGD
SCHEMBL3488388 0.72 SMN1; SMN2 (0.35) SMN1; SMN2HSD17B10HRH3CA12CA9
SCHEMBL3487291 0.71 MAPT (0.48) KDM4EALDH1A1LMNAGAAHSD17B10
SCHEMBL3486990 0.71 SYK (0.44) ALDH1A1LMNAHPGDSMN1; SMN2CA12
SCHEMBL3487381 0.68 CA12 (0.39) KDM4EALDH1A1LMNASMN1; SMN2HSD17B10

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 PIM1 3175/4885PIM2 2842/4885ADAMTS4 4682/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 PIM1 3238/4885PIM2 2839/4885ADAMTS4 4728/4885

“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.