Sugi Predict

Sugi Predict / Compounds / SCHEMBL3486988

SCHEMBL3486988

SCHEMBL3486988

CCCCN1C(=O)C(Nc2ccc3oc(C(=O)N(C)C)cc3c2)=C(c2ccccc2)S1(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ HPGD P15428 2/20 0.35
▸ P2RX3 P56373 3/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ACKR3 P25106 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ NCOA2 Q15596 1/20 0.32
▸ NCOA1 Q15788 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL3486990 0.92 SYK (0.44) SYKSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL3486901 0.91 SMN1; SMN2 (0.38) SYKSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL3488389 0.86 SMN1; SMN2 (0.35) SYKSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL3486895 0.83 SMN1; SMN2 (0.38) SYKSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL3487918 0.82 SMN1; SMN2 (0.38) SYKSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL3487865 0.79 SMN1; SMN2 (0.35) SMN1; SMN2NPC1RAB9AMAPK1HDAC3
SCHEMBL3488388 0.78 SMN1; SMN2 (0.35) SYKSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL3488025 0.74 ALDH1A1 (0.44) ALDH1A1HPGDRXFP1MEN1KMT2A
SCHEMBL3487497 0.72 CA12 (0.40) MEN1KMT2A
SCHEMBL4478931 0.72 ASAH1 (0.35) SYKSMN1; SMN2NPC1RAB9AMAPK1

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 SYK 3656/4885SMN1; SMN2 4234/4885NPC1 98/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 SYK 3476/4885SMN1; SMN2 4232/4885NPC1 97/4885

“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.