SCHEMBL6840283

SCHEMBL6840283

CCC(Nc1ccc(F)c(F)c1)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
RECQL P46063 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 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
SCHEMBL1688443 0.83 MAPT (0.47) TSHRMAPTALDH1A1HTTMEN1
SCHEMBL12277103 0.82 TSHR (0.44) TSHRHPGDMAPTALDH1A1HTT
SCHEMBL6840485 0.80 ALDH1A1 (0.45) HPGDMAPTALDH1A1HTTL3MBTL1
SCHEMBL7384571 0.80 MAPT (0.46) TSHRHPGDMAPTALDH1A1HTT
SCHEMBL7384576 0.80 MAPT (0.46) TSHRHPGDMAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL27548700 0.78 MAPT (0.45) TSHRHPGDMAPTALDH1A1HTT
Hydrochloric Acid SCHEMBL5368230 0.78 MAPT (0.45) TSHRHPGDMAPTALDH1A1HTT
SCHEMBL1129211 0.77 MAPT (0.40) TSHRHPGDMAPTALDH1A1HTT
SCHEMBL7872227 0.77 MAPT (0.40) TSHRHPGDMAPTALDH1A1HTT
SCHEMBL17456275 0.77 TSHR (0.49) TSHRHPGDMAPTALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 US disclosed
EP-2516441-B1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-01-21 EP disclosed
US-8541418-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICAL, INC. (US) 2013-09-24 US disclosed
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8445503-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-09-01 US disclosed
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-08-25 US disclosed
WO-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 WO disclosed
WO-2011079114-A1 PTERIDINONES AS INHIBITORS OF POLO - LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2011-06-30 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 (4 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-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E TSHR 3303/4885HPGD 2865/4885MAPT 314/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E TSHR 3367/4885HPGD 2889/4885MAPT 294/4885
US-20110207716-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E TSHR 3935/4885HPGD 2499/4885MAPT 316/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E TSHR 3367/4885HPGD 2889/4885MAPT 294/4885

“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.