Sugi Predict

Sugi Predict / Compounds / SCHEMBL3898564

SCHEMBL3898564

SCHEMBL3898564

O=C(NCc1ccccc1C(F)(F)F)c1ccc(Cl)cc1NS(=O)(=O)C1=CC=CN2SNC=C12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 2/20 0.38
▸ EPHX2 P34913 8/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GRIK1 P39086 1/20 0.37
▸ PPARG P37231 4/20 0.37
▸ P2RX7 Q99572 1/20 0.36
▸ KCNA5 P22460 1/20 0.35
▸ DDR1 Q08345 1/20 0.35
▸ HSD17B13 Q7Z5P4 1/20 0.35
▸ PTGES O14684 2/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL3900875 0.91 CCKBR (0.40) CCKBRPOLBMAPTKCNA5MEN1
SCHEMBL3899498 0.90 ALDH1A1 (0.44) CCKBRTP53POLBMAPTKCNA5
SCHEMBL3907644 0.88 PRNP (0.43) CCKBRKCNA5HPGDKMT2ACCKAR
SCHEMBL3899486 0.88 ALDH1A1 (0.43) CCKBRTP53PPARGKCNA5HPGD
SCHEMBL3900371 0.87 CCKBR (0.40) CCKBRKCNA5DDR1CCKAR
SCHEMBL3901987 0.86 CCKBR (0.38) CCKBREPHX2KCNA5HPGDCCKAR
SCHEMBL3900245 0.86 CCKBR (0.38) CCKBRMAPTKCNA5CCKAR
SCHEMBL3913111 0.85 CCKBR (0.36) CCKBREPHX2KCNA5DDR1HSD17B13
SCHEMBL3909971 0.85 CCKBR (0.41) CCKBRKCNA5CCKAR
SCHEMBL3901212 0.85 CCKBR (0.42) CCKBRKCNA5HPGDCCKAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 — — US claimed
US-7550492-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-23 — — US disclosed
US-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 — — US disclosed
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 — — US disclosed
EP-1675837-A2 BENZO [1,2,5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-05 — — EP disclosed
WO-2005012275-A2 BENZO [1, 2, 5] THIADIAZOLE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-10 — — WO disclosed
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2004-11-11 — — 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-20070276016-A1 BENZO[1,2,5]THIADIAZOLE COMPOUNDS CCKBR, CCKAR, GIPR CCKBR 1/4885EPHX2 2669/4885TP53 2249/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 CCKBR 1/4885EPHX2 2457/4885TP53 3393/4885

“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.