SCHEMBL2977375

SCHEMBL2977375

Cc1ccc(OC(C)C)c(-c2ccc(NC(=O)NCCCNc3nsc4ccccc34)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.41
PDGFRB P09619 2/20 0.41
TP53 P04637 4/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.38
FLT3 P36888 3/20 0.38
CSF1R P07333 2/20 0.38
FLT1 P17948 2/20 0.38
RPS6KB1 P23443 2/20 0.38
HIPK4 Q8NE63 1/20 0.38
SRPK1 Q96SB4 1/20 0.38
BRD4 O60885 1/20 0.38
POLB P06746 2/20 0.38
KIT P10721 1/20 0.37
AURKA O14965 1/20 0.37
ROCK2 O75116 1/20 0.37
FGFR1 P11362 1/20 0.37
FLT4 P35916 1/20 0.37
RPS6KA3 P51812 1/20 0.37
ROCK1 Q13464 1/20 0.37

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
SCHEMBL2979682 0.91 HTR3A (0.43) KDRPDGFRBTP53MAPTLMNA
SCHEMBL2971550 0.83 MAPT (0.44) TP53MAPTLMNAPOLBALDH1A1
SCHEMBL2977161 0.81 HTR3A (0.54) TP53MAPTLMNABRD4POLB
SCHEMBL13202767 0.80 ALDH1A1 (0.44) TP53MAPTLMNAPOLBALDH1A1
SCHEMBL2962572 0.79 ABL1 (0.46) TP53MAPTLMNABRD4POLB
SCHEMBL5352204 0.76 TP53 (0.36) TP53MAPTLMNAPOLBALDH1A1
SCHEMBL2978633 0.76 TP53 (0.44) TP53MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL2976622 0.76 TP53 (0.47) TP53MAPTLMNA
SCHEMBL2977602 0.74 S1PR1 (0.47) TP53MAPTLMNAALDH1A1CYP1A2
SCHEMBL2976954 0.74 CFTR (0.46) TP53MAPTLMNAPOLBALDH1A1

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 KDR 4450/4885PDGFRB 286/4885TP53 561/4885

“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.