SCHEMBL10097557

SCHEMBL10097557

CCn1c(-c2ccc(NC(=O)OCC(C)C)cc2)c(N)c2ccc(OCCF)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
HPGD P15428 4/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
LCK P06239 6/20 0.36
KDR P35968 6/20 0.36
HCK P08631 5/20 0.36
SRC P12931 5/20 0.36
ABL1 P00519 1/20 0.36
RET P07949 1/20 0.36
KIT P10721 1/20 0.36
PDGFRA P16234 1/20 0.36
TEK Q02763 1/20 0.36
PFKFB2 O60825 2/20 0.35
PFKFB1 P16118 2/20 0.35
PFKFB3 Q16875 2/20 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
SCHEMBL10097452 0.92 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HPGDMAPTLMNA
SCHEMBL13151831 0.91 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2HPGDMAPTLMNA
SCHEMBL10249891 0.91 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HPGDMAPTKDR
SCHEMBL10250941 0.90 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2HPGDMAPTLMNA
SCHEMBL12950158 0.90 HPGD (0.40) ALDH1A1SMN1; SMN2HPGDMAPTPFKFB2
SCHEMBL10249577 0.89 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HPGDMAPTPFKFB2
SCHEMBL12950083 0.89 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2HPGDMAPTLMNA
SCHEMBL10097675 0.88 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2HPGDMAPTMAPK1
SCHEMBL13151775 0.88 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2MAPTLMNAPFKFB2
SCHEMBL10096238 0.87 PFKFB2 (0.41) ALDH1A1SMN1; SMN2HPGDMAPTLMNA

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
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 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-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885SMN1; SMN2 3609/4885HPGD 3255/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP ALDH1A1 1067/4885SMN1; SMN2 4565/4885HPGD 1854/4885

“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.