SCHEMBL12234262

SCHEMBL12234262

CC(C)(C)OC(=O)C(N)Cc1ccc(OP(=O)(O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 3/20 0.40
▸ PTPN1 P18031 2/20 0.40
▸ BLM P54132 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ SLC7A5 Q01650 1/20 0.40
▸ ANPEP P15144 1/20 0.40
▸ LAP3 P28838 1/20 0.40
▸ BTN3A1 O00481 2/20 0.39
▸ PTPRC P08575 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL12257940 0.83 BLM (0.45) GRB2PTPN1BLMANPEPLAP3
SCHEMBL2311154 0.83 ACACB (0.50) GRB2PTPN1LTA4HSLC7A5CYP3A4
SCHEMBL29446290 0.83 ANPEP (0.43) GRB2PTPN1BLMSLC7A5ANPEP
SCHEMBL7346010 0.83 LDHA (0.53) PTPN1LTA4HSLC7A5ANPEPCYP1A2
SCHEMBL3729750 0.83 ACACB (0.50) GRB2PTPN1LTA4HSLC7A5CYP3A4
SCHEMBL106531 0.83 LDHA (0.53) PTPN1LTA4HSLC7A5ANPEPCYP1A2
SCHEMBL16080173 0.83 ACACB (0.50) GRB2PTPN1LTA4HSLC7A5CYP3A4
SCHEMBL7518497 0.83 LDHA (0.53) PTPN1LTA4HSLC7A5ANPEPCYP1A2
SCHEMBL2311151 0.83 ACACB (0.50) GRB2PTPN1LTA4HSLC7A5CYP3A4
SCHEMBL21029260 0.82 ACACB (0.47) PTPN1LTA4HSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263539-A1 SHIP 1 MODULATOR COMPOUNDS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-10-27 — — US disclosed
US-20100323990-A1 SHIP 1 MODULATOR PRODRUGS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2010-12-23 — — US disclosed
US-20100168225-A1 Small-Molecule Hepatitis C Virus (HCV) NS3/4A Serine Protease Inhibitors JEAN FRANCOIS 2010-07-01 — — 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 (3 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-20100168225-A1 Small-Molecule Hepatitis C Virus (HCV) NS3/4A Serine Protease Inhibitors SRR, HAVCR2, CBR3 GRB2 863/4885PTPN1 1002/4885BLM 3231/4885
US-20100323990-A1 SHIP 1 MODULATOR PRODRUGS PPM1D, PPM1G, PPM1F GRB2 495/4885PTPN1 31/4885BLM 4471/4885
US-20110263539-A1 SHIP 1 MODULATOR COMPOUNDS PPM1F, PPM1D, PPP1R1B GRB2 433/4885PTPN1 35/4885BLM 4175/4885

“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.

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