SCHEMBL2632240

SCHEMBL2632240

CCCCCCC(C)c1ccc(CCC(N)(CO)C(=O)OCCOCCO)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
S1PR1 P21453 10/20 0.40
S1PR4 O95977 9/20 0.40
S1PR3 Q99500 9/20 0.40
S1PR5 Q9H228 6/20 0.40
TNNC1 P63316 5/20 0.40
SGPL1 O95470 1/20 0.40
GPR183 P32249 1/20 0.40
CERS2 Q96G23 1/20 0.40
SPHK2 Q9NRA0 3/20 0.40

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
SCHEMBL2622477 0.88 MEN1 (0.55) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL18269849 0.84 MEN1 (0.60) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL13953201 0.82 S1PR1 (0.48) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL14769843 0.79 S1PR1 (0.38) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL14228475 0.78 MEN1 (0.39) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL17027777 0.76 MEN1 (0.49) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL17027745 0.76 MEN1 (0.49) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL17027861 0.76 MEN1 (0.49) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL12314891 0.76 S1PR1 (0.69) CYP3A4S1PR1S1PR4S1PR3S1PR5
SCHEMBL17027781 0.76 MEN1 (0.49) MEN1USP2ALDH1A1LMNACYP3A4

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
US-8158677-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-04-17 US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 US disclosed
US-20090042772-A1 COMPOUNDS AND METHODS OF TREATING INSULIN RESISTANCE AND CARDIOMYOPATHY TRANSITION THERAPEUTICS INC. (CA) 2009-02-12 US disclosed
WO-2008083280-A1 COMPOUNDS AND METHODS OF TREATING INSULIN RESISTANCE AND CARDIOMYOPATHY TRANSITION THERAPEUTICS INC. (CA) 2008-07-10 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 (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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 MEN1 4221/4885USP2 2226/4885ALDH1A1 1469/4885
US-20090042772-A1 COMPOUNDS AND METHODS OF TREATING INSULIN RESISTANCE AND CARDIOMYOPATHY CPT1A, CPT1B, PNLIP MEN1 2851/4885USP2 2118/4885ALDH1A1 2539/4885

“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.