SCHEMBL19320877

SCHEMBL19320877

COCc1ccccc1-c1sc2c(c1C(=O)O)CCCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
ALDH1A1 P00352 4/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
PTGS2 P35354 2/20 0.46
TP53 P04637 1/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 4/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
CASP6 P55212 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NOD1 Q9Y239 2/20 0.42
TNF P01375 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CNR2 P34972 1/20 0.42
GLO1 Q04760 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
SCHEMBL19320878 1.00 MEN1 (0.46) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL19320876 0.96 MAPT (0.44) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL19325607 0.88 MEN1 (0.46) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL19325604 0.88 MEN1 (0.46) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL19325792 0.85 MAPT (0.44) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL19321474 0.84 PTPN1 (0.41) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL19320879 0.84 ESR1 (0.35) MEN1KMT2AALDH1A1RAB9APTGS2
SCHEMBL19320875 0.82 CACNA1G (0.47) ALDH1A1LMNAHTTSMN1; SMN2CNR2
SCHEMBL19320826 0.82 CACNA1G (0.47) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL19320828 0.81 CNR2 (0.39) ALDH1A1PTGS2LMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR SHIONOGI & CO., LTD. (JP) 2017-09-07 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-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR CPN1, HAT1, PRSS1 MEN1 4668/4885KMT2A 1478/4885ALDH1A1 4195/4885

“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.