SCHEMBL2979249

SCHEMBL2979249

CCCNC(=O)Nc1ccc2sc(C(=O)NCCCNc3nsc4ccccc34)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
POLB P06746 1/20 0.44
EPHX1 P07099 1/20 0.42
MAPT P10636 1/20 0.42
ACKR3 P25106 1/20 0.41
HDAC1 Q13547 6/20 0.41
NAMPT P43490 1/20 0.41
TP53 P04637 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
NPC1 O15118 3/20 0.40
CLK1 P49759 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL2969503 0.91 RAB9A (0.50) RAB9APOLBMAPTACKR3HDAC1
SCHEMBL2965924 0.89 RAB9A (0.51) RAB9APOLBMAPTACKR3HDAC1
SCHEMBL2968867 0.83 KDM4E (0.43) RAB9AEPHX1MAPTACKR3HDAC1
SCHEMBL2976791 0.82 LMNA (0.51) RAB9AACKR3HDAC1NAMPTHDAC3
SCHEMBL2972982 0.82 RAB9A (0.48) RAB9APOLBACKR3HDAC1NAMPT
SCHEMBL2968388 0.77 RAB9A (0.56) RAB9APOLBACKR3HDAC1NAMPT
SCHEMBL2977602 0.77 S1PR1 (0.47) RAB9AEPHX1MAPTTP53NPC1
SCHEMBL2977856 0.76 TP53 (0.55) MAPTTP53SMN1; SMN2
SCHEMBL13220705 0.76 RAB9A (0.47) RAB9APOLBACKR3HDAC1NAMPT
SCHEMBL2978633 0.76 TP53 (0.44) EPHX1MAPTTP53SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP claimed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US claimed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 WO 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 RAB9A 4073/4885POLB 1347/4885EPHX1 2122/4885

“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.