SCHEMBL4373737

SCHEMBL4373737

Cc1ccc(C(=O)OC23CC4CC(C2)C(=O)C(C4)C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 2/20 0.46
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
RAB9A P51151 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
EPHX2 P34913 2/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38

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
SCHEMBL685883 0.88 ALDH1A1 (0.56) NPSR1ALDH1A1KMT2AHTTMEN1
SCHEMBL27255743 0.87 NPSR1 (0.47) NPSR1TSHRALDH1A1KMT2AHTT
SCHEMBL27255744 0.85 RAB9A (0.46) NPSR1TSHRALDH1A1KMT2AHTT
SCHEMBL4362824 0.85 ALDH1A1 (0.43) NPSR1TSHRALDH1A1KMT2AHTT
SCHEMBL16772260 0.82 ALDH1A1 (0.48) NPSR1ALDH1A1KMT2AHTTMEN1
SCHEMBL17344411 0.80 TDP1 (0.47) NPSR1ALDH1A1KMT2AHTTMEN1
SCHEMBL10134646 0.80 ALDH1A1 (0.46) NPSR1ALDH1A1KMT2AHTTMEN1
SCHEMBL231596 0.77 NPSR1 (0.56) NPSR1TSHRALDH1A1KMT2AHTT
SCHEMBL24212719 0.76 MEN1 (0.45) NPSR1TSHRALDH1A1KMT2AHTT
SCHEMBL12500713 0.76 KMT2A (0.45) NPSR1ALDH1A1KMT2AHTTMEN1

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
WO-2009091433-A2 SPIRO AND DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE MMV (CH) 2009-07-23 WO disclosed
US-20080125441-A1 SPIRO AND DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE MMV (CH) 2008-05-29 US disclosed
US-7371778-B2 Spiro and dispiro 1,2,4-trioxolane antimalarials MEDICINES FOR MALARIA VENTURE MMV (CH) 2008-05-13 US disclosed
US-20050256185-A1 Spiro and dispiro 1,2,4-trioxolane antimalarials MEDICINES FOR MALARIA VENTURE MMV (CH) 2005-11-17 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-20080125441-A1 SPIRO AND DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS DHODH, THPO, SQLE NPSR1 2559/4885TSHR 2097/4885ALDH1A1 212/4885
US-20050256185-A1 Spiro and dispiro 1,2,4-trioxolane antimalarials DHODH, THPO, SQLE NPSR1 2559/4885TSHR 2097/4885ALDH1A1 212/4885

“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.