SCHEMBL3735604

SCHEMBL3735604

COC(=O)c1c(C)cccc1OCCCCN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
HSP90AA1 P07900 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40

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
SCHEMBL3735898 0.86 CA12 (0.57) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL5892682 0.84 CA12 (0.56) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL5892998 0.83 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL2888832 0.81 TDP1 (0.46) L3MBTL1TDP1MAPTLMNARAB9A
SCHEMBL3748663 0.78 MAPT (0.59) L3MBTL1MAPTLMNAHTTTSHR
SCHEMBL7213192 0.76 CA12 (0.57) L3MBTL1MAPTLMNARAB9ACA12
SCHEMBL30320392 0.76 CA12 (0.57) L3MBTL1MAPTLMNARAB9ACA12
SCHEMBL14454119 0.76 KDM4E (0.47) L3MBTL1TDP1MAPTLMNARAB9A
SCHEMBL23748687 0.75 LMNA (0.50) TDP1MAPTLMNARAB9ACA12
SCHEMBL6501785 0.75 PTPN1 (0.39) TDP1MAPTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829737-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR, INC. (US) 2010-11-09 US disclosed
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2009-05-21 US disclosed
US-7504389-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR, INC. (US) 2009-03-17 US disclosed
US-20080161592-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2008-07-03 US disclosed
CN-101094677-A Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR INC (US) 2007-12-26 CN disclosed
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP disclosed
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof FALCON TECHNOLOGY PARTNERS L.P. 2006-06-29 US disclosed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 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 (3 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-20080161592-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 L3MBTL1 2399/4885TDP1 145/4885MAPT 3112/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 L3MBTL1 2399/4885TDP1 145/4885MAPT 3112/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 L3MBTL1 2399/4885TDP1 145/4885MAPT 3112/4885

“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.