Sugi Predict

Sugi Predict / Compounds / SCHEMBL334542

SCHEMBL334542

SCHEMBL334542

CCC(C)OC(=O)C(C(=O)O)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ EPHX1 P07099 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ SCN1A P35498 1/20 0.35
▸ SCN2A Q99250 1/20 0.35
▸ SCN3A Q9NY46 1/20 0.35
▸ SHBG P04278 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL11674837 0.85 MAPT (0.32) MAPT
SCHEMBL3354231 0.83 THRB (0.56) TSHRMAPTCYP1A2CYP2D6KMT2A
SCHEMBL3096958 0.79 TSHR (0.56) TSHRALDH1A1NPSR1L3MBTL1CYP2D6
SCHEMBL2673897 0.78 GPR119 (0.47) ALDH1A1L3MBTL1MAPTEPHX1
SCHEMBL942073 0.78 LMNA (0.35) ALDH1A1MAPTLMNACYP1A2CYP2D6
SCHEMBL1712912 0.77 TSHR (0.58) TSHRALDH1A1NPSR1L3MBTL1CYP2D6
SCHEMBL11218222 0.77 CPB2 (0.33) TSHRALDH1A1MAPTEPHX1LMNA
SCHEMBL7435766 0.76 EPHX1 (0.39) ALDH1A1L3MBTL1MAPTEPHX1LMNA
SCHEMBL20589107 0.76 TSHR (0.57) TSHRALDH1A1NPSR1L3MBTL1CYP2D6
SCHEMBL11464617 0.75 TSHR (0.52) TSHRALDH1A1NPSR1L3MBTL1CYP2D6

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
US-8222404-B2 [1,2,4]Thiadiazin-3-yl acetic acid compound and methods of making the acetic acid compound ANADYS PHARMACEUTICALS, INC. (US) 2012-07-17 — — US disclosed
US-20120116077-A1 [1,2,4]THIADIAZIN-3-YL ACETIC ACID COMPOUND[[S]] AND METHODS OF MAKING THE ACETIC ACID COMPOUND ANADYS PHARMACEUTICALS, INC. (US) 2012-05-10 — — US disclosed
US-8097613-B2 [1,2,4]thiadiazine 1,1-dioxide compounds ANADYS PHARMACEUTICALS, INC. (US) 2012-01-17 — — US disclosed
WO-2009152166-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-17 — — WO disclosed
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-10 — — 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 (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-20120116077-A1 [1,2,4]THIADIAZIN-3-YL ACETIC ACID COMPOUND[[S]] AND METHODS OF MAKING THE ACETIC ACID COMPOUND ACMSD, ACACA, ALDH1A1 TSHR 2175/4885ALDH1A1 3/4885NPSR1 4391/4885
US-20090306057-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS CYP2E1, CYP1A1, CYP1B1 TSHR 2373/4885ALDH1A1 85/4885NPSR1 2567/4885

“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.