SCHEMBL3144570

SCHEMBL3144570

CCOC(=O)C(C(C)=O)C(=O)c1ccc(C(=O)OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA12 O43570 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
MAPT P10636 2/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
HTT P42858 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL1436172 0.85 SLC7A5 (0.49) KMT2AMAPTLOXL2RAB9AKDM4E
SCHEMBL31439643 0.84 SLC7A5 (0.48) KMT2AMAPTLOXL2RAB9AKDM4E
SCHEMBL3826655 0.83 MAPT (0.47) TDP1MEN1KMT2ACA1CA2
SCHEMBL8249383 0.83 MAPT (0.43) MEN1KMT2ACA1CA2CA12
SCHEMBL2036336 0.82 NPC1 (0.54) TDP1MEN1KMT2ACA1CA2
SCHEMBL16061270 0.80 CA1 (0.43) TDP1MEN1KMT2ACA1CA2
SCHEMBL2198776 0.79 KMT2A (0.44) MEN1KMT2AMAPTESR2HTT
SCHEMBL11811932 0.79 MAPT (0.54) MEN1KMT2ACA1CA2MAPT
SCHEMBL4444431 0.77 CA1 (0.70) TDP1MEN1KMT2ACA1CA2
SCHEMBL10537396 0.77 CA1 (0.70) TDP1MEN1KMT2ACA1CA2

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-20030008856-A1 Treatment of septic shock KAZMIERSKI WIESLAW MIECZYSLAW (US) 2003-01-09 US claimed
US-20020091113-A1 Treatment of septic shock MOLICHEM MEDICINES, INC. 2002-07-11 US claimed
EP-0697864-A1 TREATMENT OF SEPTIC SHOCK MOLICHEM MEDICINES, INC. (US) 1996-02-28 EP claimed
WO-1994026263-A2 USE OF A TRANSITION METAL COMPLEX FOR THE TREATMENT OF SEPTIC SHOCK THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 WO claimed
US-8278243-B2 Laser imaging DATALASE LTD. (GB) 2012-10-02 US disclosed
US-20100075848-A1 Laser Imaging DATALASE LTD. (GB) 2010-03-25 US disclosed
US-7022734-B2 Treatment of septic shock MOLICHEM MEDICINES, INC. (US) 2006-04-04 US disclosed
US-20030008856-A1 Treatment of septic shock KAZMIERSKI WIESLAW MIECZYSLAW (US) 2003-01-09 US disclosed
US-6465511-B1 SUCH AS DIETHYLENETRIAMINEPENTAACETIC ACID IRON III; TREATING ASSOCIATED HYPOTENSION MOLICHEM MEDICINES, INC. 2002-10-15 US disclosed
US-20020091113-A1 Treatment of septic shock MOLICHEM MEDICINES, INC. 2002-07-11 US disclosed
EP-0697864-B1 USE OF FERRIOXAMINE B IN THE TREATMENT OS SEPTIC SHOCK MOLICHEM MEDICINES INC (US) 2000-09-06 EP disclosed
EP-0697864-A1 TREATMENT OF SEPTIC SHOCK MOLICHEM MEDICINES, INC. (US) 1996-02-28 EP disclosed
WO-1994026263-A2 USE OF A TRANSITION METAL COMPLEX FOR THE TREATMENT OF SEPTIC SHOCK THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-24 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 (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-20030008856-A1 Treatment of septic shock MB, NOS2, NOS3 TDP1 3944/4885MEN1 3276/4885KMT2A 4258/4885
US-20020091113-A1 Treatment of septic shock NOS2, MB, NOS3 TDP1 3987/4885MEN1 3158/4885KMT2A 4138/4885

“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.