SCHEMBL1163682

SCHEMBL1163682

CCOc1c(F)cc(Cl)c2[nH]cc(CC(=O)O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.41
PTGER4 P35408 3/20 0.36
TSHR P16473 2/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
FFAR1 O14842 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
GLA P06280 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
PMP22 Q01453 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL1163334 0.88 GAA (0.33) THRBCSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL12874846 0.75 THRB (0.50) THRBTSHRKDM4EPPARG
SCHEMBL9755991 0.74 CSNK2A2 (0.56) THRBTSHRCSNK2A2CSNK2BCSNK2A1
SCHEMBL12559178 0.73 THRB (0.39) THRBPTGER4ALDH1A1LMNAHPGD
SCHEMBL1163307 0.71 THRB (0.45) THRBPTGER4TSHRALDH1A1KDM4E
SCHEMBL1163475 0.70 KDM4E (0.40) THRBTSHRALDH1A1LMNAKDM4E
SCHEMBL8526104 0.70 ALDH1A1 (0.47) THRBTSHRCSNK2A2CSNK2BCSNK2A1
SCHEMBL27614639 0.68 ALDH1A1 (0.38) THRBTSHRALDH1A1LMNAKDM4E
SCHEMBL6512206 0.65 TSHR (0.49) TSHRALDH1A1LMNAKDM4EHPGD
SCHEMBL6510009 0.65 CYP1A2 (0.44) THRBTSHRALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
EP-2464227-A1 COMPOUNDS AND METHODS OF USE THEREOF Galenea Corporation (US) 2012-06-20 EP disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 WO disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT THRB 2538/4885PTGER4 2005/4885TSHR 3368/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT THRB 2538/4885PTGER4 2005/4885TSHR 3368/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT THRB 2538/4885PTGER4 2005/4885TSHR 3368/4885

“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.