SCHEMBL14769843

SCHEMBL14769843

Cc1ccc(CCC(N)(CO)C(=O)OCCOCCO)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.38
S1PR3 Q99500 7/20 0.38
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
KDM4E B2RXH2 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TNNC1 P63316 5/20 0.33
SGPL1 O95470 1/20 0.33

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
SCHEMBL14499235 0.87 LMNA (0.40) S1PR1S1PR3LMNAALDH1A1CYP3A4
SCHEMBL2622477 0.85 MEN1 (0.55) S1PR1S1PR3LMNAMEN1USP2
SCHEMBL18269849 0.82 MEN1 (0.60) S1PR1S1PR3LMNAMEN1USP2
SCHEMBL2632240 0.79 MEN1 (0.42) S1PR1S1PR3LMNAMEN1USP2
SCHEMBL2622475 0.76 S1PR1 (0.42) S1PR1S1PR3SMN1; SMN2TNNC1SGPL1
SCHEMBL10792748 0.72 KCNH2 (0.51) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL14309248 0.69 KCNH2 (0.53) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL20118857 0.69 MEN1 (0.43) S1PR1S1PR3LMNAMEN1ALDH1A1
SCHEMBL16900467 0.68 RAB9A (0.49) LMNAALDH1A1CYP3A4MAPK1KMT2A
SCHEMBL28228923 0.68 RAB9A (0.49) LMNAALDH1A1CYP3A4MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029413-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-05-12 US disclosed
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-14 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-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 S1PR1 980/4885S1PR3 1425/4885LMNA 4191/4885

“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.