SCHEMBL2979166

SCHEMBL2979166

COc1cccc(-c2cccc(C(=O)NCCCNc3nsc4ccccc34)c2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.43
TP53 P04637 4/20 0.43
MAPT P10636 2/20 0.43
EPAS1 Q99814 1/20 0.41
KISS1R Q969F8 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 2/20 0.40
CFTR P13569 1/20 0.40
LMNA P02545 1/20 0.40
SMYD2 Q9NRG4 1/20 0.40

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
SCHEMBL2979203 0.94 TP53 (0.45) FYNTP53MAPTEPAS1KISS1R
SCHEMBL2967135 0.88 ALDH1A1 (0.48) FYNTP53MAPTEPAS1KISS1R
SCHEMBL2971414 0.88 KCNH2 (0.49) FYNTP53MAPTLMNA
SCHEMBL2972727 0.88 MAPT (0.47) FYNTP53MAPTEPAS1MEN1
SCHEMBL2971015 0.86 TP53 (0.45) FYNTP53MAPTTDP1POLB
SCHEMBL2976622 0.86 TP53 (0.47) TP53MAPTKMT2ALMNASMYD2
SCHEMBL13220577 0.84 KISS1R (0.42) TP53MAPTKISS1RSMYD2
SCHEMBL2977071 0.84 ALDH1A1 (0.53) FYNTP53MAPTEPAS1MEN1
SCHEMBL13202592 0.83 TP53 (0.47) FYNTP53MAPTEPAS1KISS1R
SCHEMBL2977391 0.82 RAB9A (0.53) TP53MAPTMEN1KMT2APOLB

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-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US claimed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US disclosed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 WO 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-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS FYN 2239/4885TP53 561/4885MAPT 2483/4885

“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.