SCHEMBL13531978

SCHEMBL13531978

CC(C)c1ccc(NCC(=O)N(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
HPGD P15428 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
KIF11 P52732 1/20 0.44
LMNA P02545 3/20 0.42
EPHX1 P07099 2/20 0.42
RAB9A P51151 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.41
CA9 Q16790 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
EGFR P00533 1/20 0.40

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
SCHEMBL18558825 0.83 HDAC8 (0.46) CA12CA1CA2CA9TSHR
SCHEMBL4493412 0.82 CA12 (0.46) CA12CA1CA2SMN1; SMN2KDM4E
SCHEMBL31262962 0.82 TSHR (0.55) CA12CA1CA2SMN1; SMN2L3MBTL1
SCHEMBL31262950 0.80 CA1 (0.44) CA12CA1CA2CA7HPGD
SCHEMBL807665 0.80 MAPT (0.48) CA12CA1CA2CA7SMN1; SMN2
SCHEMBL71574 0.80 CA12 (0.49) CA12CA1CA2CA7SMN1; SMN2
SCHEMBL13773412 0.80 CA12 (0.49) CA12CA1CA2CA7SMN1; SMN2
SCHEMBL4409854 0.79 KIF11 (0.54) CA12CA1CA2CA7SMN1; SMN2
SCHEMBL20762355 0.79 CA12 (0.43) CA12CA1CA2CA7SMN1; SMN2
SCHEMBL31263081 0.79 MAPT (0.44) CA12CA1CA2CA7ALDH1A1

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-20170088576-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-03-30 US disclosed
US-20170088576-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-03-30 US disclosed
US-20150111839-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2015-04-23 US disclosed
US-20100021425-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-01-28 US disclosed
US-7462608-B2 Non nucleoside reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2008-12-09 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-20170088576-A1 ANTIVIRAL COMPOUNDS EIF2AK2, MAVS, ITPA CA12 3641/4885CA1 3835/4885CA2 2232/4885
US-20150111839-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 CA12 1157/4885CA1 2558/4885CA2 1754/4885
US-20100021425-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, MTAP, SLC29A1 CA12 3011/4885CA1 3435/4885CA2 2960/4885

“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.