SCHEMBL4373593

SCHEMBL4373593

C[C@H](Oc1cccc(N(S)C(=O)NC(=O)c2cc3ccccc3o2)c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
LMNA P02545 1/20 0.50
THRB P10828 1/20 0.50
SMN1; SMN2 Q16637 7/20 0.47
TP53 P04637 5/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 3/20 0.43
HPGD P15428 2/20 0.43
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL4365507 0.81 HPGD (0.53) ALDH1A1LMNASMN1; SMN2TP53MAPT
SCHEMBL4366045 0.78 NPC1 (0.63) ALDH1A1LMNATHRBSMN1; SMN2TP53
SCHEMBL4373590 0.78 NPC1 (0.63) ALDH1A1LMNATHRBSMN1; SMN2TP53
SCHEMBL4360469 0.78 CYP1A2 (0.42) ALDH1A1LMNASMN1; SMN2MAPTNPC1
SCHEMBL4366242 0.77 MAPK14 (0.43) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL4364673 0.75 MAPK14 (0.45) LMNASMN1; SMN2NPC1RAB9A
SCHEMBL4366041 0.69 NPC1 (0.47) ALDH1A1LMNATHRBSMN1; SMN2TP53
SCHEMBL4373587 0.69 NPC1 (0.47) ALDH1A1LMNATHRBSMN1; SMN2TP53
SCHEMBL14164590 0.68 SMN1; SMN2 (0.71) ALDH1A1LMNATHRBSMN1; SMN2TP53
SCHEMBL19387376 0.67 ALDH1A1 (0.76) ALDH1A1LMNATHRBSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US claimed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 US claimed
US-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2004-07-15 US claimed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-7094807-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-22 US disclosed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 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 (2 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-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, TPMT ALDH1A1 310/4885LMNA 3749/4885THRB 1002/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 ALDH1A1 221/4885LMNA 3239/4885THRB 858/4885

“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.