SCHEMBL3738015

SCHEMBL3738015

CCC(C)OP(=O)(O)C(F)(F)c1ccc(C(=O)NCCCCc2ccccc2)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.48
HSP90AA1 P07900 1/20 0.48
ALDH1A1 P00352 5/20 0.45
HPGD P15428 5/20 0.45
KDM4E B2RXH2 5/20 0.45
CYP2D6 P10635 4/20 0.45
CYP2C9 P11712 4/20 0.45
CYP2C19 P33261 4/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 2/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
NLRP3 Q96P20 1/20 0.43
GLA P06280 1/20 0.43
POLB P06746 2/20 0.42
CYP3A4 P08684 2/20 0.42
IDE P14735 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3745494 0.84 PTPN2 (0.45) MLYCDMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3742925 0.84 HSP90AA1 (0.59) MLYCDHSP90AA1HPGDKDM4ENPC1
SCHEMBL3737791 0.83 TRPV1 (0.44) HPGDPOLB
SCHEMBL3738515 0.82 TRPV1 (0.47) ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL3738009 0.82 HSP90AA1 (0.53) MLYCDHSP90AA1ALDH1A1HPGDKDM4E
SCHEMBL3737636 0.81 CA1 (0.42) ALDH1A1HPGDMAPTSMN1; SMN2NPC1
SCHEMBL3732108 0.81 PTPN1 (0.46) ALDH1A1L3MBTL1
SCHEMBL3736646 0.80 LMNA (0.41) ALDH1A1HPGDKDM4EMAPTPOLB
SCHEMBL7182093 0.80 PTPN1 (0.40)
SCHEMBL5499152 0.80 ALDH1A1 (0.40) ALDH1A1HPGDMAPTNLRP3L3MBTL1

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