SCHEMBL543428

SCHEMBL543428

CCC(=Cc1cccc2nnsc12)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.36
ALDH1A1 P00352 2/20 0.33
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPT P10636 4/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX2 P34913 2/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
TP53 P04637 1/20 0.30
PPARG P37231 1/20 0.30
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30

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
SCHEMBL543427 1.00 TBXAS1 (0.36) TBXAS1ALDH1A1PTGESALOX5MAPT
SCHEMBL543657 0.77 RAB9A (0.48) TBXAS1ALDH1A1MAPTNPC1RAB9A
SCHEMBL543658 0.77 RAB9A (0.48) TBXAS1ALDH1A1MAPTNPC1RAB9A
SCHEMBL2778866 0.76 CA1 (0.45) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL2778862 0.76 CA1 (0.45) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL543426 0.74 HSD17B1 (0.45) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL543506 0.73 TBXAS1 (0.36) TBXAS1ALDH1A1PTGESALOX5MAPT
SCHEMBL543545 0.69 MTNR1A (0.37) TBXAS1ALDH1A1PTGESALOX5MAPT
SCHEMBL543544 0.69 MTNR1A (0.37) TBXAS1ALDH1A1PTGESALOX5MAPT
SCHEMBL24587500 0.68 ALDH1A1 (0.44) TBXAS1ALDH1A1PTGESALOX5MAPT

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-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 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-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH TBXAS1 514/4885ALDH1A1 1431/4885PTGES 1476/4885

“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.