SCHEMBL8614501

SCHEMBL8614501

O=C(NC(=S)Nc1ccc(S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3)cc2)cc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.79
CA2 P00918 1/20 0.79
PLK1 P53350 1/20 0.79
CA9 Q16790 1/20 0.79
EPHX1 P07099 5/20 0.73
PRMT1 Q99873 1/20 0.71
ALDH1A1 P00352 6/20 0.70
MAPT P10636 2/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
NPSR1 Q6W5P4 2/20 0.68
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
LMNA P02545 1/20 0.68
ALOX12 P18054 1/20 0.68
HTT P42858 1/20 0.68
HPGD P15428 2/20 0.68
THRB P10828 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
GPR55 Q9Y2T6 2/20 0.64

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
SCHEMBL19086559 0.88 CA1 (0.75) CA1CA2PLK1CA9EPHX1
SCHEMBL18606712 0.88 CA1 (1.00) CA1CA2PLK1CA9EPHX1
SCHEMBL13454582 0.88 CA1 (0.75) CA1CA2PLK1CA9EPHX1
SCHEMBL17066704 0.86 GPR55 (0.86) CA1CA2PLK1CA9EPHX1
N-(Phenylcarbamothioyl)Benzamide SCHEMBL2341910 0.85 EPHX1 (1.00) CA1CA2PLK1CA9EPHX1
SCHEMBL8616503 0.84 EPHX1 (0.83) CA1CA2PLK1CA9EPHX1
SCHEMBL31321777 0.83 ALDH1A1 (0.85) CA1CA2PLK1CA9EPHX1
SCHEMBL27451748 0.83 MIF (0.83) CA1CA2PLK1CA9EPHX1
SCHEMBL8614312 0.82 PTPN7 (0.74) PRMT1ALDH1A1MAPTMEN1KMT2A
SCHEMBL13454566 0.82 MAPT (1.00) CA1CA2PLK1CA9EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
EP-0611754-B1 Dimerized thiourea derivatives, near-infrared absorbents comprising the same, and heat wave shielding materials comprising the same JUJO PAPER CO LTD (JP) 1998-04-22 EP disclosed
US-5723075-A HEAT RESISTANT ABSORBERS WITH RESINS FOR SHIELDS NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1998-03-03 US disclosed
EP-0611754-A1 Dimerized thiourea derivatives, near-infrared absorbents comprising the same, and heat wave shielding materials comprising the same NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1994-08-24 EP 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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 CA1 4355/4885CA2 3158/4885PLK1 3076/4885

“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.