SCHEMBL14359001

SCHEMBL14359001

CCNC(=O)Nc1ccc(CCc2ccc(NC(=O)NCC)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.46
▸ CASR P41180 2/20 0.46
▸ DHODH Q02127 1/20 0.43
▸ GHSR Q92847 1/20 0.42
▸ IDH1 O75874 2/20 0.41
▸ RAD51 Q06609 1/20 0.41
▸ MTNR1B P49286 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ MMP2 P08253 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ DOT1L Q8TEK3 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ NR1I3 Q14994 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 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
SCHEMBL15116962 0.88 KDM4E (0.44) ENPP2CASRDHODHMTNR1BKMT2A
SCHEMBL14358995 0.85 RAD51 (0.57) CASRDHODHGHSRIDH1RAD51
SCHEMBL14361824 0.82 ENPP2 (0.57) ENPP2RAD51MMP13MMP2MMP8
SCHEMBL14358622 0.82 CA12 (0.49) ENPP2CASRGHSRIDH1RAD51
SCHEMBL14358637 0.81 ENPP2 (0.71) ENPP2CASRDHODHGHSRRAD51
SCHEMBL14358655 0.81 ENPP2 (0.71) ENPP2CASRDHODHGHSRRAD51
SCHEMBL14361745 0.81 CA12 (0.50) ENPP2CASRGHSRIDH1RAD51
SCHEMBL14358543 0.80 SMN1; SMN2 (0.49) ENPP2RAD51MEN1KMT2A
SCHEMBL14358668 0.77 KDM4E (0.51) RAD51MTNR1BKMT2A
SCHEMBL14358918 0.76 ENPP2 (0.81) ENPP2CASRGHSRRAD51MEN1

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
EP-2724156-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE The Jackson Laboratory (US) 2014-04-30 — — EP claimed
US-20130184342-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE THE JACKSON LABORATORY (US) 2013-07-18 — — US claimed
WO-2013003112-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE THE JACKSON LABORATORY (US) 2013-01-03 — — WO claimed
US-10207988-B2 Methods and compositions for treatment of cancer and autoimmune disease THE JACKSON LABORATORY (US) 2019-02-19 — — US disclosed
EP-2724156-B1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE JACKSON LAB (US) 2017-08-16 — — EP disclosed
EP-2724156-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE The Jackson Laboratory (US) 2014-04-30 — — EP disclosed
US-20130184342-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE THE JACKSON LABORATORY (US) 2013-07-18 — — US disclosed
WO-2013003112-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE THE JACKSON LABORATORY (US) 2013-01-03 — — 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 (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-20130184342-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE BAK1, SSB, MRE11 ENPP2 100/4885CASR 4164/4885DHODH 887/4885
US-10207988-B2 Methods and compositions for treatment of cancer and autoimmune disease BAK1, SSB, MRE11 ENPP2 100/4885CASR 4164/4885DHODH 887/4885

“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.

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