SCHEMBL1799676

SCHEMBL1799676

Cc1ccc(C(=O)[C@]2(O)C[C@@H](Cl)O[C@@H]2C(O)C(=O)c2ccc(CCl)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
GRIN2B Q13224 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL16446965 0.92 HPGD (0.33) TDP1ALDH1A1HPGDLMNA
SCHEMBL9614440 0.92 HPGD (0.33) TDP1ALDH1A1HPGDLMNA
SCHEMBL11104413 0.92 HPGD (0.33) TDP1ALDH1A1HPGDLMNA
SCHEMBL11350296 0.82 P2RX7 (0.32)
SCHEMBL9594501 0.82 P2RX7 (0.32)
SCHEMBL6142427 0.77 TDP1 (0.34) TDP1L3MBTL1RAB9AALDH1A1LMNA
SCHEMBL1799677 0.71 HPGD (0.33) TDP1L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL6142770 0.71 HPGD (0.33) TDP1L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL8718920 0.71 HPGD (0.33) TDP1L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL2471234 0.71 HPGD (0.33) TDP1L3MBTL1NPC1RAB9AALDH1A1

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-20210070798-A1 Inhibitors of E1 activating enzymes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 US disclosed
US-10865208-B2 ATG7 inhibitors and the uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-12-15 US disclosed
US-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. 2018-03-29 US disclosed
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENIUM PHARMACEUTICALS, INC. 2017-03-16 US disclosed
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARM INC (US) 2016-07-07 US disclosed
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-11 US disclosed
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-12-19 US disclosed
EP-1848718-B1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARM INC (US) 2012-08-01 EP disclosed
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
US-7951810-B2 Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
EP-1848718-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-31 EP disclosed
US-20060189636-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-24 US disclosed
WO-2006084281-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-10 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 (9 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-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 TDP1 88/4885L3MBTL1 2124/4885NPC1 4418/4885
US-10865208-B2 ATG7 inhibitors and the uses thereof ATG7, BECN1, SQSTM1 TDP1 286/4885L3MBTL1 2449/4885NPC1 689/4885
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 TDP1 88/4885L3MBTL1 2124/4885NPC1 4418/4885
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 TDP1 344/4885L3MBTL1 2292/4885NPC1 3774/4885
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 TDP1 431/4885L3MBTL1 3286/4885NPC1 3118/4885
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 TDP1 88/4885L3MBTL1 2124/4885NPC1 4418/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 TDP1 344/4885L3MBTL1 2292/4885NPC1 3774/4885
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 TDP1 431/4885L3MBTL1 3286/4885NPC1 3118/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 TDP1 344/4885L3MBTL1 2292/4885NPC1 3774/4885

“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.