SCHEMBL3743449

SCHEMBL3743449

CCC(C)OP(=O)(O)C(F)(F)c1ccc(CCNC(=O)C2CC2c2ccccc2)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.43
ALDH1A1 P00352 1/20 0.40
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC4 P56524 1/20 0.35
TLR2 O60603 2/20 0.35
TLR1 Q15399 2/20 0.35
GPR88 Q9GZN0 4/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34

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
SCHEMBL3745755 0.85 PTPN1 (0.46) SIGMAR1ALDH1A1PTPN2PTPN1HDAC4
SCHEMBL13041696 0.85 PTPN1 (0.46) SIGMAR1ALDH1A1PTPN2PTPN1HDAC4
SCHEMBL3732067 0.84 HTR5A (0.38) PTPN2PTPN1GPR88
SCHEMBL3743444 0.84 SIGMAR1 (0.45) SIGMAR1ALDH1A1MEN1KMT2AHDAC4
SCHEMBL3745494 0.84 PTPN2 (0.45) PTPN2PTPN1MEN1KMT2AHDAC4
SCHEMBL3735483 0.83 PTPN1 (0.43) ALDH1A1PTPN2PTPN1
SCHEMBL3736646 0.81 LMNA (0.41) ALDH1A1PTPN2PTPN1MEN1KMT2A
SCHEMBL3737636 0.81 CA1 (0.42) ALDH1A1PTPN2PTPN1MEN1KMT2A
SCHEMBL3738515 0.80 TRPV1 (0.47) ALDH1A1MEN1KMT2AHDAC4
SCHEMBL3738765 0.80 CA2 (0.41) PTPN2PTPN1

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 5 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
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof FALCON TECHNOLOGY PARTNERS L.P. 2006-06-29 US 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 SIGMAR1 3365/4885ALDH1A1 765/4885PTPN2 5/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 SIGMAR1 3365/4885ALDH1A1 765/4885PTPN2 5/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 SIGMAR1 3365/4885ALDH1A1 765/4885PTPN2 5/4885

“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.