SCHEMBL4091026

SCHEMBL4091026

CCc1cc(-c2ccc(-c3csc(N)n3)cc2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.55
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
ALDH1A1 P00352 9/20 0.51
MAPT P10636 7/20 0.51
RAB9A P51151 6/20 0.51
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
LMNA P02545 1/20 0.51
HSD17B1 P14061 1/20 0.50
POLB P06746 3/20 0.48
ALOX5 P09917 1/20 0.47
GAA P10253 2/20 0.47
NOS1 P29475 1/20 0.47

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
SCHEMBL13678958 0.78 HSD17B1 (0.75) HSD17B1ALOX5ARESR2
SCHEMBL18114092 0.76 PARP1 (0.43) LTA4HMKNK1MKNK2ALDH1A1MAPT
SCHEMBL23610361 0.76 ALDH1A1 (0.83) LTA4HMKNK1MKNK2ALDH1A1MAPT
SCHEMBL3953461 0.76 HSD17B1 (0.71) HSD17B1ALOX5ARESR2
SCHEMBL29276767 0.75 ALDH1A1 (0.67) LTA4HMKNK1MKNK2ALDH1A1MAPT
SCHEMBL476184 0.75 LTA4H (0.68) LTA4HMKNK1MKNK2ALDH1A1MAPT
SCHEMBL4086117 0.74 HSD17B1 (0.50) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL4704845 0.74 LTA4H (0.59) LTA4HMKNK1MKNK2ALDH1A1MAPT
SCHEMBL1771825 0.74 ALDH1A1 (0.79) LTA4HMKNK1MKNK2ALDH1A1MAPT
Thiourea SCHEMBL6167559 0.72 LTA4H (0.57) LTA4HMKNK1MKNK2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 WO 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-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 LTA4H 511/4885MKNK1 3729/4885MKNK2 3863/4885

“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.