SCHEMBL10029067

SCHEMBL10029067

NCCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.64
CA12 O43570 5/20 0.64
CA1 P00915 5/20 0.64
CA2 P00918 5/20 0.64
CA9 Q16790 5/20 0.64
ALDH1A1 P00352 7/20 0.61
PKM P14618 3/20 0.61
KDM4E B2RXH2 2/20 0.61
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MMP14 P50281 3/20 0.58
ADAMTS4 O75173 2/20 0.58
MMP13 P45452 2/20 0.58
ADAMTS5 Q9UNA0 2/20 0.58
MMP1 P03956 1/20 0.53
MEP1B Q16820 1/20 0.53
TBXA2R P21731 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 2/20 0.50

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
SCHEMBL10029063 1.00 MMP2 (0.64) MMP2CA12CA1CA2CA9
SCHEMBL10029061 0.99 MMP2 (0.63) MMP2CA12CA1CA2CA9
SCHEMBL11623917 0.86 ALDH1A1 (0.82) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL11807867 0.86 ALDH1A1 (0.82) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL11649813 0.86 ALDH1A1 (0.82) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL20282176 0.86 MMP2 (0.64) MMP2CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL11628667 0.85 ALDH1A1 (0.79) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL6671584 0.85 ALDH1A1 (0.79) CA1CA2ALDH1A1PKMKDM4E
SCHEMBL24242630 0.84 MMP2 (0.57) MMP2CA12CA1CA2CA9
SCHEMBL2008353 0.82 ALDH1A1 (0.64) MMP2ALDH1A1PKMKDM4ELMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993544-B2 Carbamoylphosphonates as inhibitors and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2015-03-31 US disclosed
US-8993544-B2 Carbamoylphosphonates as inhibitors and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2015-03-31 US disclosed
US-20120035140-A1 CARBAMOYLPHOSPHONATES AS INHIBITORS AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2012-02-09 US disclosed
US-20120035140-A1 CARBAMOYLPHOSPHONATES AS INHIBITORS AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2012-02-09 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 (1 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-20120035140-A1 CARBAMOYLPHOSPHONATES AS INHIBITORS AND USES THEREOF MMP9, MMP26, MMP25 MMP2 10/4885CA12 307/4885CA1 247/4885

“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.