SCHEMBL15680449

SCHEMBL15680449

CC(=O)C(=N)c1ccc(O)c(O)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.39
SELP P16109 1/20 0.39
PIK3CA P42336 4/20 0.38
HDAC1 Q13547 1/20 0.34
SHBG P04278 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
HPGD P15428 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALOX15 P16050 2/20 0.33
GAA P10253 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
KDM4E B2RXH2 3/20 0.32
POLB P06746 2/20 0.32
RAB9A P51151 1/20 0.32
ERCC1 P07992 1/20 0.31

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
SCHEMBL15680145 0.81 SELL (0.42) SELLSELPPIK3CAHDAC1SHBG
SCHEMBL15680217 0.81 SELL (0.36) SELLSELPPIK3CAHDAC1SHBG
SCHEMBL20625956 0.81 SELL (0.36) SELLSELPPIK3CAHDAC1SHBG
SCHEMBL3218306 0.80 SELL (0.45) SELLSELPPIK3CAHDAC1ALDH1A1
SCHEMBL31346680 0.80 SELL (0.45) SELLSELPPIK3CAHDAC1ALDH1A1
SCHEMBL15680460 0.78 SELL (0.39) SELLSELPPIK3CAHDAC1ALDH1A1
SCHEMBL15680457 0.77 PLAAT3 (0.37) SELLSELPPIK3CAALDH1A1MAPT
SCHEMBL20625996 0.77 ALOX5 (0.38) SELLSELPPIK3CAALDH1A1MAPT
SCHEMBL19426134 0.77 CA1 (0.38) SELLSELPPIK3CAALDH1A1MAPT
SCHEMBL28842145 0.76 SELL (0.48) SELLSELPPIK3CAHDAC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20150344502-A1 CEPHEM COMPOUND SHIONOGI & CO., LTD. (JP) 2015-12-03 US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 US disclosed
WO-2014068388-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-05-08 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 (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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL SELL 3556/4885SELP 3882/4885PIK3CA 775/4885
US-20150344502-A1 CEPHEM COMPOUND PRMT6, CEP170, NR0B1 SELL 3963/4885SELP 3434/4885PIK3CA 4744/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 SELL 3068/4885SELP 2254/4885PIK3CA 807/4885

“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.