SCHEMBL15730736

SCHEMBL15730736

CCN(CC)S(=O)(=O)c1ccc(-c2cccnc2C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.62
▸ LMNA P02545 4/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ ALDH1A1 P00352 4/20 0.51
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ MKNK1 Q9BUB5 1/20 0.50
▸ MKNK2 Q9HBH9 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ MAPK1 P28482 1/20 0.46
▸ PTGS1 P23219 2/20 0.46
▸ PTGS2 P35354 2/20 0.46
▸ GAA P10253 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL15724378 0.86 LMNA (0.55) HTTLMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL15730738 0.84 MKNK1 (0.53) HTTLMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL15730873 0.81 LMNA (0.60) HTTLMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL15730118 0.79 PTGS2 (0.67) MKNK1MKNK2PTGS1PTGS2
SCHEMBL15730256 0.78 CA2 (0.62) MKNK1MKNK2PTGS1PTGS2
SCHEMBL15730108 0.75 DRD1 (0.54) HTTLMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL15730136 0.73 LMNA (0.53) HTTLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL5023540 0.73 HTT (0.73) HTTLMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL7662428 0.73 MKNK1 (0.61) HTTLMNASMN1; SMN2ALDH1A1MKNK1
SCHEMBL19925346 0.72 MKNK1 (0.57) LMNASMN1; SMN2ALDH1A1MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 — — 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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN HTT 4049/4885LMNA 3182/4885SMN1; SMN2 3500/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN HTT 4049/4885LMNA 3182/4885SMN1; SMN2 3500/4885

“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.

Send feedback