Sugi Predict

Sugi Predict / Compounds / SCHEMBL3887464

SCHEMBL3887464

SCHEMBL3887464

CCOc1c(S(C)(=O)=O)cnc2ccc(C=O)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ TP53 P04637 6/20 0.35
▸ DHFR P00374 1/20 0.35
▸ MAPT P10636 6/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ POLB P06746 3/20 0.34
▸ THRB P10828 1/20 0.34
▸ GAA P10253 3/20 0.34
▸ TACR2 P21452 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PTK2B Q14289 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
SCHEMBL3880333 0.87 ALDH1A1 (0.37) ALDH1A1MAPTSMN1; SMN2POLBTDP1
SCHEMBL3884578 0.80 TP53 (0.41) ALDH1A1TP53MAPTSMN1; SMN2POLB
SCHEMBL3886628 0.78 KMT2A (0.54) ALDH1A1MAPTPOLBGAALMNA
SCHEMBL13955946 0.77 MYC (0.47) ALDH1A1MAPTSMN1; SMN2POLBGAA
SCHEMBL3887448 0.77 PDE4B (0.56) ALDH1A1MAPTPOLBGAALMNA
SCHEMBL3887446 0.77 PDE4B (0.56) ALDH1A1MAPTPOLBGAALMNA
SCHEMBL14452720 0.77 PDE4B (0.56) ALDH1A1MAPTPOLBGAALMNA
SCHEMBL3883366 0.77 SRC (0.41) ALDH1A1DHFR
SCHEMBL3894715 0.77 PAX8 (0.47) ALDH1A1TP53MAPTSMN1; SMN2POLB
SCHEMBL3883361 0.76 KMT2A (0.41) ALDH1A1TP53MAPTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771443-B1 QUINOLINE THIAZOLINONES WITH CDK-1 ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2009-01-07 — — EP disclosed
EP-1771443-B1 QUINOLINE THIAZOLINONES WITH CDK-1 ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2009-01-07 — — EP disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 — — US disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 — — US disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 — — US disclosed
EP-1771443-A1 QUINOLINE THIAZOLINONES WITH CDK1 ANTIPROLIFERATIVE ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2007-04-11 — — EP disclosed
WO-2006002828-A1 QUINOLINE THIAZOLINONES WITH CDK1 ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 — — WO disclosed
US-20060004046-A1 Thiazolinone 3,4-disubstituted quinolines CHEN LI 2006-01-05 — — 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-20060004046-A1 Thiazolinone 3,4-disubstituted quinolines CDK1, CDK17, CDK14 ALDH1A1 3840/4885TP53 83/4885DHFR 769/4885

“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.