SCHEMBL15547683

SCHEMBL15547683

[CH2]C1CCc2ccccc2S1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
PLAU P00749 1/20 0.36
IDO1 P14902 2/20 0.33
PDPK1 O15530 1/20 0.33
ANPEP P15144 2/20 0.32
TSHR P16473 1/20 0.32
CYP19A1 P11511 1/20 0.32
GRIN2B Q13224 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL9572509 0.78 ALDH1A1 (0.33) SIGMAR1PLAUIDO1TSHR
SCHEMBL6721448 0.77 SIGMAR1 (0.43) SIGMAR1PLAUIDO1PDPK1ANPEP
SCHEMBL6676676 0.75 PLAU (0.45) SIGMAR1PLAUIDO1PDPK1ANPEP
SCHEMBL30724832 0.75 SIGMAR1 (0.42) SIGMAR1PLAUIDO1PDPK1
SCHEMBL5255259 0.75 PLAU (0.45) SIGMAR1PLAUIDO1PDPK1ANPEP
SCHEMBL10780065 0.75 SIGMAR1 (0.42) SIGMAR1PLAUIDO1PDPK1
SCHEMBL44650 0.73 SIGMAR1 (0.44) SIGMAR1PLAUTSHRGRIN2BCYP11B2
SCHEMBL30160953 0.73 SIGMAR1 (0.41) SIGMAR1PLAUIDO1PDPK1ANPEP
SCHEMBL28525701 0.73 SIGMAR1 (0.41) SIGMAR1PLAUIDO1PDPK1ANPEP
SCHEMBL11129686 0.73 SIGMAR1 (0.44) SIGMAR1PLAUIDO1PDPK1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2875014-B1 ANTI-MUCUS DRUGS AND USES THEREFOR UNIV WASHINGTON (US) 2017-11-29 EP disclosed
US-9187470-B2 Anti-mucus drugs and uses therefor WASHINGTON UNIVERSITY (US) 2015-11-17 US disclosed
US-20150183777-A1 ANTI-MUCUS DRUGS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-02 US disclosed
EP-2875014-A2 ANTI-MUCUS DRUGS AND USES THEREFOR Washington University (US) 2015-05-27 EP disclosed
WO-2014015056-A2 ANTI-MUCUS DRUGS AND USES THEREFOR WASHINGTON UNIVERSITY (US) 2014-01-23 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-20150183777-A1 ANTI-MUCUS DRUGS AND USES THEREFOR MAPK13, MAPK11, MUC1 SIGMAR1 826/4885PLAU 1419/4885IDO1 3833/4885

“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.