SCHEMBL88835

SCHEMBL88835

CN[C@H](C(=O)O)C(C)(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNN4 O15554 2/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
KIF11 P52732 2/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
MME P08473 2/20 0.38

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
SCHEMBL5981504 1.00 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6799798 0.90 MME (0.50) CYP2C19KIF11CYP1A2MMEACE
SCHEMBL6799795 0.90 MME (0.50) CYP2C19KIF11CYP1A2MMEACE
SCHEMBL21086847 0.87 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21086713 0.87 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6670650 0.87 HDAC1 (0.44) HDAC1MAPTKMT2AKIF11ALDH1A1
SCHEMBL6670653 0.87 HDAC1 (0.44) HDAC1MAPTKMT2AKIF11ALDH1A1
SCHEMBL20732297 0.85 ESR1 (0.42) KIF11MMEACEALDH1A1
SCHEMBL5981109 0.85 MAPT (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8715689 0.85 MAPT (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539682-A2 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES USEFUL FOR THE SYNTHESIS OF TUBULIN INHIBITORS Wyeth Holdings Corporation (US) 2005-06-15 EP claimed
WO-2004026814-A2 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES USEFUL FOR THE SYNTHESIS OF TUBULIN INHIBITORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 WO claimed
US-20040063904-A1 Process for the synthesis of intermediates useful for the synthesis of tubulin inhibitors WYETH HOLDINGS CORPORATION 2004-04-01 US claimed
US-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2012-12-06 US disclosed
US-7626023-B2 Compounds for treating tumors WYETH (US) 2009-12-01 US disclosed
US-7626023-B2 Compounds for treating tumors WYETH (US) 2009-12-01 US disclosed
US-7585976-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2009-09-08 US disclosed
US-20080221181-A1 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2008-09-11 US disclosed
US-20080221181-A1 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2008-09-11 US disclosed
US-7390910-B2 Compounds for treating tumors WYETH (US) 2008-06-24 US disclosed
US-7390910-B2 Compounds for treating tumors WYETH (US) 2008-06-24 US disclosed
US-7078572-B2 Process for the synthesis of intermediates useful for the synthesis of tubulin inhibitors WYETH HOLDINGS CORPORATION (US) 2006-07-18 US disclosed
US-20050288486-A1 Process for the synthesis of intermediates useful for the synthesis of tubulin inhibitors WYETH HOLDINGS CORPORATION (US) 2005-12-29 US disclosed
US-6951955-B2 Process for the synthesis of intermediates useful for the synthesis of tubulin inhibitors WYETH HOLDINGS CORPORATION (US) 2005-10-04 US disclosed
EP-1539682-A2 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES USEFUL FOR THE SYNTHESIS OF TUBULIN INHIBITORS Wyeth Holdings Corporation (US) 2005-06-15 EP disclosed
US-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 US disclosed
WO-2004047615-A2 HEMIASTERLIN AFFINITY PROBES AND THEIR USES WYETH (US) 2004-06-10 WO disclosed
WO-2004026814-A2 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES USEFUL FOR THE SYNTHESIS OF TUBULIN INHIBITORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 WO disclosed
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 WO disclosed
US-20040063904-A1 Process for the synthesis of intermediates useful for the synthesis of tubulin inhibitors WYETH HOLDINGS CORPORATION 2004-04-01 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 (5 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-20080221181-A1 COMPOUNDS FOR TREATING TUMORS RB1, MRPL9, BCOR HDAC3 1316/4885HDAC4 1922/4885HDAC1 1196/4885
US-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS HDAC3 1392/4885HDAC4 2039/4885HDAC1 1510/4885
US-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN HDAC3 466/4885HDAC4 648/4885HDAC1 265/4885
US-20040063904-A1 Process for the synthesis of intermediates useful for the synthesis of tubulin inhibitors TUBB1, TUBA1C, TUBB HDAC3 1941/4885HDAC4 1568/4885HDAC1 1114/4885
US-20050288486-A1 Process for the synthesis of intermediates useful for the synthesis of tubulin inhibitors TUBB1, TUBB, TUBA1C HDAC3 1652/4885HDAC4 1694/4885HDAC1 887/4885

“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.