SCHEMBL3426862

SCHEMBL3426862

NC(=S)Nc1ccc(N2CCCCC2)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.51
NOTUM Q6P988 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
NPY2R P49146 1/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL3429191 0.79 ALDH1A1 (0.50) S1PR1SMN1; SMN2MAPTTHRBNPSR1
SCHEMBL28027728 0.79 S1PR1 (0.50) S1PR1NOTUMSMN1; SMN2TP53MAPT
SCHEMBL20198516 0.76 MAPT (0.62) SMN1; SMN2MAPTNPSR1KCNH2
SCHEMBL4370624 0.75 NPC1 (0.62) S1PR1SMN1; SMN2TP53MAPTNPSR1
SCHEMBL14504001 0.75 S1PR1 (0.45) S1PR1NOTUMMAPTTAAR1NPY2R
SCHEMBL14503995 0.75 S1PR1 (0.45) S1PR1NOTUMMAPTTAAR1NPY2R
SCHEMBL16380147 0.75 KDM4E (0.52) S1PR1SMN1; SMN2TP53MAPTTHRB
SCHEMBL4180659 0.75 SMN1; SMN2 (0.66) NOTUMSMN1; SMN2TP53MAPTTHRB
SCHEMBL3145141 0.74 ALDH1A1 (0.49) S1PR1SMN1; SMN2MAPTTAAR1NPSR1
SCHEMBL2871077 0.74 S1PR1 (0.56) S1PR1SMN1; SMN2MAPTTAAR1KCNH2

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
US-7718671-B2 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-18 US claimed
CN-1849301-A Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS INC (US) 2006-10-18 CN claimed
EP-1648862-A2 SUBSTITUTED ARYLTHIOUREA DERIVATIVES USEFUL AS INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2006-04-26 EP claimed
US-20050032849-A1 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2005-02-10 US claimed
WO-2005007601-A2 SUBSTITUTED ARYLTHIOUREA DERIVATIVES USEFUL AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-01-27 WO claimed
US-7718671-B2 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-7718671-B2 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-7718671-B2 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-20050032849-A1 Substituted arylthiourea derivatives useful as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2005-02-10 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 (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-20050032849-A1 Substituted arylthiourea derivatives useful as inhibitors of viral replication TPMT, NAT1, GOT1 S1PR1 3975/4885NOTUM 1631/4885SMN1; SMN2 3102/4885

“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.