SCHEMBL642703

SCHEMBL642703

CCC(C)OP(=O)(O)Cc1ccccc1N

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.42
TSHR P16473 3/20 0.34
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ANPEP P15144 2/20 0.33
HPGD P15428 2/20 0.33
LAP3 P28838 2/20 0.33
RCE1 Q9Y256 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
ACP3 P15309 1/20 0.31

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
SCHEMBL916315 0.85 TSHR (0.49) TSHR
SCHEMBL916701 0.84 KDM4E (0.36) TSHRALDH1A1KDM4EHPGDACP3
SCHEMBL3086597 0.82 IDO1 (0.34) TSHRALDH1A1KDM4EANPEPLAP3
SCHEMBL901668 0.82 ALDH1A1 (0.44) TSHRALDH1A1HPGD
SCHEMBL2008230 0.82 EPHX2 (0.36) TSHRKDM4EANPEPHPGD
SCHEMBL6665944 0.81 CYP3A4 (0.33) FDPSALDH1A1KDM4E
SCHEMBL9386757 0.80 SRC (0.39) TSHRALDH1A1KDM4EHPGDTDP1
SCHEMBL915190 0.80 FOLH1 (0.40) TSHRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL4030761 0.80 FDPS (0.47) FDPSTSHRALDH1A1HSD17B10KDM4E
SCHEMBL4070829 0.79 EPHX2 (0.40) ALDH1A1KDM4EACP3

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-2057173-B1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2014-02-26 EP disclosed
US-8119617-B2 aSMase inhibitors NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20100022482-A1 aSMase inhibitors NOVARTIS AG (CH) 2010-01-28 US disclosed
EP-2057173-A1 AMIDES AS SPHINGOMYELINE INHIBITORS Novartis AG (CH) 2009-05-13 EP disclosed
WO-2008022771-A1 AMIDES AS SPHINGOMYELINE INHIBITORS NOVARTIS AG (CH) 2008-02-28 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-20100022482-A1 aSMase inhibitors SMPD1, SMPD3, SMPD2 FDPS 494/4885TSHR 2541/4885ALDH1A1 330/4885

“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.