SCHEMBL3738515

SCHEMBL3738515

CCC(C)OP(=O)(O)C(F)(F)c1ccc(CCNC(=O)CCCc2ccccc2)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.47
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
HDAC3 O15379 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
NCOR2 Q9Y618 3/20 0.42
HDAC4 P56524 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
HPGD P15428 2/20 0.41
PLAAT3 P53816 3/20 0.41
PLAAT5 Q96KN8 3/20 0.41
PLAAT2 Q9NWW9 3/20 0.41
PLAAT4 Q9UL19 3/20 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
SCHEMBL3737791 0.97 TRPV1 (0.44) TRPV1LMNAPKMHDAC3HDAC1
SCHEMBL3736646 0.95 LMNA (0.41) TRPV1LMNAHDAC3HDAC1HDAC2
SCHEMBL3737636 0.90 CA1 (0.42) LMNAHDAC3HDAC1HDAC6HDAC4
SCHEMBL3745494 0.87 PTPN2 (0.45) LMNAHDAC3HDAC1HDAC2HDAC10
SCHEMBL3747529 0.86 MEN1 (0.51) HPGDMEN1KMT2AALDH1A1
SCHEMBL3735483 0.85 PTPN1 (0.43) LMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL3737960 0.84 TRPV1 (0.57) TRPV1LMNAPKMHDAC3HDAC1
SCHEMBL3738509 0.83 TRPV1 (0.51) TRPV1LMNAPKMHDAC3HDAC1
SCHEMBL3738015 0.82 MLYCD (0.48) HPGDSMN1; SMN2ALDH1A1POLB
SCHEMBL3738765 0.82 CA2 (0.41) LMNA

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 TRPV1 3962/4885LMNA 4192/4885PKM 2351/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 TRPV1 3962/4885LMNA 4192/4885PKM 2351/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 TRPV1 3962/4885LMNA 4192/4885PKM 2351/4885

“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.