Sugi Predict

Sugi Predict / Compounds / SCHEMBL3903033

SCHEMBL3903033

SCHEMBL3903033

Cc1ccc(C(=O)NCc2ccc(F)cc2Cl)c(NS(=O)(=O)C2=CC=CN3SNC=C23)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.38
▸ ROCK1 Q13464 2/20 0.38
▸ EPHX2 P34913 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ P2RX7 Q99572 7/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL3898359 0.93 MET (0.37) EPHX2MAPTPOLBPKMP2RX7
SCHEMBL3903734 0.92 EPHX2 (0.37) EPHX2MAPTTP53P2RX7KDM4E
SCHEMBL3902461 0.92 EPHX2 (0.39) ROCK2ROCK1EPHX2MAPTCYP2D6
SCHEMBL3900184 0.91 ROCK2 (0.36) ROCK2ROCK1EPHX2CYP2D6PKM
SCHEMBL3903085 0.91 CCKBR (0.37) ROCK2ROCK1EPHX2MAPTTP53
SCHEMBL3900087 0.90 ALDH1A1 (0.43) ROCK2ROCK1MAPTTP53POLB
SCHEMBL3903714 0.88 KCNA5 (0.40) ROCK2ROCK1EPHX2MAPTTP53
SCHEMBL3907638 0.87 KMT2A (0.34) MAPTSMN1; SMN2KMT2A
SCHEMBL3913111 0.87 CCKBR (0.36) EPHX2KDM4EALDH1A1
SCHEMBL3906339 0.86 ALDH1A1 (0.34) EPHX2MAPTPOLBPKMKMT2A

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 ROCK2 1915/4885ROCK1 4164/4885EPHX2 2669/4885
US-20040224983-A1 Benzo[1,2,5]thiadiazole compounds CCKBR, CCKAR, BRSK2 ROCK2 2030/4885ROCK1 3912/4885EPHX2 2457/4885

“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.