SCHEMBL3738009

SCHEMBL3738009

CCOP(=O)(OCC)C(F)(F)c1ccc(C(=O)NCCCCc2ccccc2)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.53
MLYCD O95822 2/20 0.53
ALDH1A1 P00352 6/20 0.48
HPGD P15428 5/20 0.48
KDM4E B2RXH2 5/20 0.48
CYP2D6 P10635 4/20 0.48
CYP2C9 P11712 4/20 0.48
CYP2C19 P33261 4/20 0.48
MAPT P10636 3/20 0.48
CYP1A2 P05177 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GLA P06280 1/20 0.48
NLRP3 Q96P20 1/20 0.47
CYP3A4 P08684 2/20 0.47
POLB P06746 2/20 0.46
IDE P14735 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL3742925 0.86 HSP90AA1 (0.59) HSP90AA1MLYCDHPGDKDM4EGLA
SCHEMBL3745490 0.83 ESRRG (0.48) MLYCDMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3738015 0.82 MLYCD (0.48) HSP90AA1MLYCDALDH1A1HPGDKDM4E
SCHEMBL3737787 0.82 TRPV1 (0.47) HPGDLMNA
SCHEMBL3738509 0.81 TRPV1 (0.51) HPGDLMNA
SCHEMBL3740770 0.80 NOTUM (0.45) ALDH1A1MAPTSMN1; SMN2POLBLMNA
SCHEMBL3737634 0.79 CA1 (0.46) ALDH1A1HPGDMAPTSMN1; SMN2POLB
SCHEMBL3732106 0.79 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2L3MBTL1LMNA
SCHEMBL3736642 0.78 LMNA (0.45) ALDH1A1HPGDKDM4EMAPTPOLB
SCHEMBL3732024 0.78 F2 (0.42) ALDH1A1MAPTSMN1; SMN2LMNA

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 7 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
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 HSP90AA1 420/4885MLYCD 2586/4885ALDH1A1 765/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 HSP90AA1 420/4885MLYCD 2586/4885ALDH1A1 765/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 HSP90AA1 420/4885MLYCD 2586/4885ALDH1A1 765/4885

“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.