SCHEMBL15524319

SCHEMBL15524319

COC(=O)Cc1ccccc1C#Cc1nc(Cl)ncc1OC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.37
FFAR1 O14842 1/20 0.36
PIN1 Q13526 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ALDH1A1 P00352 4/20 0.34
CSNK1D P48730 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CYP2C9 P11712 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
SCHEMBL15524418 0.89 FFAR1 (0.47) PTGDR2FFAR1PIN1TDP1ALDH1A1
SCHEMBL15524081 0.72 PTK2 (0.43)
SCHEMBL15523754 0.70 FFAR1 (0.53) FFAR1ALDH1A1HPGD
SCHEMBL3623135 0.70 KDM4E (0.43) FFAR1L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL15567991 0.70 SMN1; SMN2 (0.35) FFAR1MAPK10TDP1ALDH1A1MAPT
SCHEMBL12478570 0.70 RXFP1 (0.41) TDP1ALDH1A1MAPTHPGDPOLB
SCHEMBL20516535 0.70 GRM5 (0.44) PTGDR2FFAR1PIN1TDP1ALDH1A1
SCHEMBL12478676 0.69 HPGD (0.36) TDP1ALDH1A1MAPTHPGD
SCHEMBL17384352 0.68 ALDH1A1 (0.40) L3MBTL1TDP1ALDH1A1MAPTHPGD
SCHEMBL6803353 0.68 KDM4E (0.44) L3MBTL1TDP1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266864-B2 VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-02-23 US disclosed
US-9266864-B2 VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-02-23 US disclosed
US-9266864-B2 VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-02-23 US disclosed
US-20150225377-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2015-08-13 US disclosed
US-20150225377-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2015-08-13 US disclosed
US-20150225377-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2015-08-13 US disclosed
CN-104837835-A VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LTD 2015-08-12 CN disclosed
US-20140080798-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-03-20 US disclosed
US-20140080798-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-03-20 US disclosed
US-20140080798-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-03-20 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 (2 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-20150225377-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR PTGDR2 492/4885FFAR1 2245/4885PIN1 3375/4885
US-20140080798-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR PTGDR2 769/4885FFAR1 1375/4885PIN1 2479/4885

“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.