SCHEMBL2622341

SCHEMBL2622341

CCC(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.59
ALDH1A1 P00352 4/20 0.59
LMNA P02545 7/20 0.57
FFAR1 O14842 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
RAB9A P51151 1/20 0.53
HTT P42858 4/20 0.53
HPGD P15428 2/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 2/20 0.51
LIPE Q05469 1/20 0.51
POLB P06746 1/20 0.51
SCN9A Q15858 1/20 0.51
XBP1 P17861 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL11349350 0.89 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1LMNAFFAR1MEN1
SCHEMBL6901995 0.87 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1LMNAFFAR1MEN1
SCHEMBL10690126 0.86 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1LMNAFFAR1MEN1
SCHEMBL11344508 0.86 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1LMNAFFAR1MEN1
SCHEMBL10584608 0.85 FFAR1 (0.68) SMN1; SMN2ALDH1A1LMNAFFAR1MEN1
SCHEMBL10839309 0.85 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1LMNAFFAR1MEN1
SCHEMBL11360493 0.84 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1LMNAFFAR1MEN1
SCHEMBL2622337 0.83 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1LMNAFFAR1MEN1
SCHEMBL20626585 0.83 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1LMNAFFAR1MEN1
SCHEMBL9519820 0.83 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1LMNAFFAR1MEN1

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-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

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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 SMN1; SMN2 2585/4885ALDH1A1 1469/4885LMNA 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.