SCHEMBL1629974

SCHEMBL1629974

CCC(C)OP(=O)(O)c1cc(Cl)ccc1N

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
ABL1 P00519 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
PMP22 Q01453 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NOS2 P35228 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL1629454 0.86 ALOX5 (0.34) ALDH1A1ALOX15TDP1MAPTTHRB
SCHEMBL1631356 0.84 ALOX15 (0.34) ALDH1A1SMN1; SMN2CYP3A4TSHRALOX15
SCHEMBL6253592 0.84 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2CYP3A4TSHRALOX15
SCHEMBL4023643 0.83 DPP8 (0.34) ALDH1A1SMN1; SMN2CYP1A2MAPTKDM4E
SCHEMBL3076853 0.83 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2TSHRTDP1LMNA
SCHEMBL1631592 0.82 MAPK1 (0.37) ALDH1A1SMN1; SMN2TSHRCYP1A2KDM4E
SCHEMBL1725585 0.82 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2TDP1KDM4ERAB9A
SCHEMBL1631192 0.80 HTT (0.41) ALDH1A1SMN1; SMN2CYP3A4TSHRCYP1A2
SCHEMBL641442 0.80 ALDH1A1 (0.35) ALDH1A1TSHRTDP1MAPTKDM4E
SCHEMBL11050246 0.79 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2CYP3A4TSHRCYP1A2

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
EP-2183260-B1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS INC (US) 2011-06-01 EP disclosed
US-7932240-B2 Phosphadiazine HCV polymerase inhibitors IV IDENIX PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
EP-2183260-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
US-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-26 US disclosed
WO-2009032180-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-12 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 (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-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV POLI, ITPA, POLR2H ALDH1A1 1722/4885ABL1 408/4885SMN1; SMN2 4370/4885

“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.