SCHEMBL4144486

SCHEMBL4144486

C1CCC(NC2CCCCC2)CC1.CCOP(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.51
MMP1 P03956 3/20 0.51
THRB P10828 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
MMP8 P22894 1/20 0.40
MMP3 P08254 1/20 0.40
ANPEP P15144 2/20 0.39
ERAP2 Q6P179 2/20 0.39
NPSR1 Q6W5P4 1/20 0.37
EPHX1 P07099 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL4144489 1.00 MMP2 (0.51) MMP2MMP1THRBATML3MBTL1
SCHEMBL10951433 0.80 THRB (0.49) MMP2MMP1THRBATML3MBTL1
SCHEMBL10951440 0.80 THRB (0.49) MMP2MMP1THRBATML3MBTL1
Phosphoric Acid SCHEMBL9860603 0.77 ALDH1A1 (0.67) MMP2MMP1THRBATML3MBTL1
Phosphoric Acid SCHEMBL8573215 0.77 ALDH1A1 (0.67) MMP2MMP1THRBATML3MBTL1
SCHEMBL9683270 0.76 MMP2 (0.53) MMP2MMP1THRBATML3MBTL1
Phosphoric Acid SCHEMBL2181515 0.75 ALDH1A1 (0.63) MMP2MMP1THRBATML3MBTL1
Phosphoric Acid SCHEMBL2181522 0.75 ALDH1A1 (0.63) MMP2MMP1THRBATML3MBTL1
SCHEMBL9747664 0.75 MMP2 (0.53) MMP2MMP1THRBATML3MBTL1
SCHEMBL8053083 0.75 PGD (0.38) MMP2MMP1THRBATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054353-A1 MANNOSYL-1 PHOSPHATES, PREPARATION METHOD AND THERAPEUTIC USE, IN PARTICULAR AGAINST THE CDG-IA SYNDROME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-02-26 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-20090054353-A1 MANNOSYL-1 PHOSPHATES, PREPARATION METHOD AND THERAPEUTIC USE, IN PARTICULAR AGAINST THE CDG-IA SYNDROME MAN2A1, MAN2B1, MANBA MMP2 3470/4885MMP1 2807/4885THRB 3269/4885

“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.