Sugi Predict

Sugi Predict / Compounds / SCHEMBL3901386

SCHEMBL3901386

SCHEMBL3901386

CN(Cc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1NS(=O)(=O)C1=CC=CN2SNC=C12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ LIMK2 P53671 2/20 0.39
▸ USP2 O75604 4/20 0.37
▸ USP8 P40818 4/20 0.37
▸ MAPT P10636 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PDK1 Q15118 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ ACLY P53396 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ MLYCD O95822 1/20 0.35

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
SCHEMBL3901443 0.93 KMT2A (0.37) CCKBRKDM4EPOLBGAATDP1
SCHEMBL3897304 0.92 KDM1A (0.40) CCKBRKDM4ETACR1MCL1ACLY
SCHEMBL3909921 0.90 KMT2A (0.42) CCKBRPOLBGAATDP1LIMK2
SCHEMBL3895752 0.89 CCKBR (0.42) CCKBRPOLBGAATDP1LIMK2
SCHEMBL3902468 0.88 CCKBR (0.42) CCKBRPOLBGAATDP1LIMK2
SCHEMBL3903743 0.88 CCKBR (0.42) CCKBRPOLBGAATDP1LIMK2
SCHEMBL3902490 0.88 CCKBR (0.53) CCKBRKDM4EPOLBGAATDP1
SCHEMBL3911355 0.88 MAPT (0.44) CCKBRPOLBGAATDP1LIMK2
SCHEMBL3900162 0.85 USP2 (0.35) LIMK2USP2USP8MCL1ACLY
SCHEMBL3905746 0.84 ACLY (0.49) GAAUSP2USP8KMT2AACLY

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 1/4885KDM4E 4124/4885POLB 4576/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 CCKBR 1/4885KDM4E 3591/4885POLB 4671/4885

“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.