SCHEMBL13670617

SCHEMBL13670617

CS(=O)(=O)NCCCCC(O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
GRIA4 P48058 3/20 0.43
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP13 P45452 1/20 0.42
MMP14 P50281 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
SLC6A4 P31645 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ADRB3 P13945 2/20 0.38
CACNA1F O60840 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2B P18089 1/20 0.38

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
SCHEMBL13670627 0.78 MTNR1A (0.54) MMP2MMP9MMP1MMP14DRD3
SCHEMBL12628089 0.76 ALDH1A1 (0.64) POLBMMP2MMP9MMP1MMP3
SCHEMBL13670622 0.75 BCAT2 (0.54) MMP2MMP9HDAC1HDAC2LMNA
SCHEMBL13670523 0.75 LMNA (0.48) SLC6A4LMNACYP3A4CYP2D6SLC6A2
SCHEMBL13670592 0.74 HDAC1 (0.57) POLBHDAC1HDAC2LMNA
SCHEMBL13670637 0.72 LMNA (0.39) HDAC1SLC6A4LMNACYP3A4CYP2D6
SCHEMBL10993868 0.72 FFAR1 (0.49) MMP2MMP9MMP13MMP14HDAC1
SCHEMBL4449695 0.72 LMNA (0.42) SLC6A4LMNACYP3A4CYP2D6SLC6A2
SCHEMBL11041488 0.72 RIPK1 (0.50) POLBLMNA
SCHEMBL3432045 0.72 KDM4E (0.57) LMNAADRB3

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-7598289-B2 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2009-10-06 US disclosed
US-7598289-B2 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2009-10-06 US disclosed
US-7572825-B2 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2009-08-11 US disclosed
US-7572825-B2 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2009-08-11 US disclosed
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2008-12-18 US disclosed
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2008-12-18 US disclosed
US-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN, THE (GB) 2007-02-01 US disclosed
US-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN, THE (GB) 2007-02-01 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 (2 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-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions OXER1, ESRRA, NR5A1 POLB 3038/4885GRIA4 1463/4885MMP2 3483/4885
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS AK1, IRAK1, CNKSR1 POLB 4180/4885GRIA4 4010/4885MMP2 3553/4885

“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.