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SCHEMBL1799677

SCHEMBL1799677

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CES2 O00748 2/20 0.33
▸ CES1 P23141 2/20 0.33
▸ SLC6A4 P31645 4/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL2471234 0.90 HPGD (0.33) HPGDCHRM2ADRA2BDRD3SIGMAR1
SCHEMBL6142770 0.90 HPGD (0.33) HPGDCHRM2ADRA2BDRD3SIGMAR1
SCHEMBL8718920 0.90 HPGD (0.33) HPGDCHRM2ADRA2BDRD3SIGMAR1
SCHEMBL2476284 0.80 GSK3B (0.32) LMNAALDH1A1CES2CES1GAA
SCHEMBL2476289 0.80 GSK3B (0.32) LMNAALDH1A1CES2CES1GAA
SCHEMBL8112010 0.79 KMT2A (0.33) HPGDLMNAALDH1A1CES2CES1
SCHEMBL8112015 0.79 KMT2A (0.33) HPGDLMNAALDH1A1CES2CES1
SCHEMBL9614440 0.78 HPGD (0.33) HPGDCHRM2ADRA2BDRD3SIGMAR1
SCHEMBL11104413 0.78 HPGD (0.33) HPGDCHRM2ADRA2BDRD3SIGMAR1
SCHEMBL16446965 0.78 HPGD (0.33) HPGDCHRM2ADRA2BDRD3SIGMAR1

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 14 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
WO-2018089786-A1 ATG7 INHIBITORS AND THE USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-05-17 — — WO 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 HPGD 255/4885CHRM2 3948/4885ADRA2B 4188/4885
US-10865208-B2 ATG7 inhibitors and the uses thereof ATG7, BECN1, SQSTM1 HPGD 3520/4885CHRM2 4065/4885ADRA2B 3090/4885
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 HPGD 255/4885CHRM2 3948/4885ADRA2B 4188/4885
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 HPGD 281/4885CHRM2 3573/4885ADRA2B 4154/4885
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 HPGD 776/4885CHRM2 583/4885ADRA2B 157/4885
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 HPGD 255/4885CHRM2 3948/4885ADRA2B 4188/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 HPGD 281/4885CHRM2 3573/4885ADRA2B 4154/4885
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 HPGD 776/4885CHRM2 583/4885ADRA2B 157/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 HPGD 281/4885CHRM2 3573/4885ADRA2B 4154/4885

“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.