SCHEMBL1163565

SCHEMBL1163565

CCOc1c(F)ccc2c1c(CC(=O)O)cn2C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.39
THRB P10828 1/20 0.37
AKR1C3 P42330 4/20 0.36
AKR1C2 P52895 2/20 0.36
KMT2A Q03164 3/20 0.35
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
AKR1C4 P17516 1/20 0.34
PTGS1 P23219 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CDC25A P30304 1/20 0.33
CXCL8 P10145 1/20 0.33
CPT1A P50416 1/20 0.33
CPT1B Q92523 1/20 0.33

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
SCHEMBL1163095 0.88 AKR1C3 (0.36) AKR1C3KMT2ATP53LMNAMEN1
SCHEMBL1163551 0.87 AKR1C3 (0.42) AKR1C3AKR1C2KMT2AMEN1AKR1C4
SCHEMBL1163621 0.84 KMT2A (0.54) KMT2ATP53LMNAMEN1RXFP1
SCHEMBL13592843 0.77 HTR2C (0.50)
Hydrochloric Acid SCHEMBL4391300 0.76 HTR2C (0.49)
SCHEMBL1163191 0.75 HRH3 (0.37) TP53LMNAKDM4E
SCHEMBL12596196 0.74 ADRB2 (0.38) KMT2AMEN1
SCHEMBL1163616 0.73 THRB (0.40) THRBKMT2AMEN1
SCHEMBL3236664 0.72 CXCL8 (0.50) PTGER4THRBCYP1A2CYP2D6KDM4E
SCHEMBL12558406 0.71 KDM1A (0.40) KMT2AMEN1SMN1; SMN2

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 15 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
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US 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 PTGER4 2005/4885THRB 2538/4885AKR1C3 1365/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT PTGER4 2005/4885THRB 2538/4885AKR1C3 1365/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT PTGER4 2005/4885THRB 2538/4885AKR1C3 1365/4885

“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.