Sugi Predict

Sugi Predict / Compounds / SCHEMBL1979727

SCHEMBL1979727

SCHEMBL1979727

CCCCN(C(=O)Nc1cc(C(N)=O)c(F)cc1F)C1CCN(Cc2ccc(Oc3ccc(S(N)(=O)=O)cc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UBE2M P61081 7/20 0.40
▸ DCUN1D1 Q96GG9 7/20 0.40
▸ CCR5 P51681 4/20 0.40
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA4 P22748 2/20 0.38
▸ CA5A P35218 2/20 0.38
▸ CA7 P43166 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA13 Q8N1Q1 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PTBP1 P26599 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37

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
Hydrochloric Acid SCHEMBL842901 0.99 CCR5 (0.40) UBE2MDCUN1D1CCR5CA12CA1
SCHEMBL841754 0.94 KCNH2 (0.44) UBE2MDCUN1D1CCR5MMP1MMP9
Hydrochloric Acid SCHEMBL842367 0.93 KCNH2 (0.43) UBE2MDCUN1D1CCR5MMP1MMP9
SCHEMBL842031 0.93 MCHR1 (0.40) UBE2MDCUN1D1MMP1MMP9MMP13
SCHEMBL1982419 0.93 MCHR1 (0.39) UBE2MDCUN1D1CCR5MMP1MMP9
Hydrochloric Acid SCHEMBL842939 0.93 MCHR1 (0.39) UBE2MDCUN1D1MMP1MMP9MMP13
Hydrochloric Acid SCHEMBL842152 0.92 MCHR1 (0.39) UBE2MDCUN1D1CCR5MMP1MMP9
SCHEMBL1980702 0.91 UBE2M (0.42) UBE2MDCUN1D1CCR5ALDH1A1LMNA
Hydrochloric Acid SCHEMBL841575 0.90 UBE2M (0.41) UBE2MDCUN1D1CCR5ALDH1A1LMNA
SCHEMBL1448587 0.90 CCR5 (0.41) UBE2MDCUN1D1CCR5ALDH1A1LMNA

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-8604207-B2 Nitrogenous heterocyclic derivative and medicine containing the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-10 — — US claimed
US-20130085275-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2013-04-04 — — US claimed
EP-2546234-A1 Nitrogeneous heterocyclic derivative and medicine containing the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2013-01-16 — — EP claimed
US-20110152520-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-23 — — US claimed

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-20110152520-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT CXCR3, CCR5, CCR1 UBE2M 4238/4885DCUN1D1 3589/4885CCR5 2/4885
US-20130085275-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT CXCR3, CCR5, CCR1 UBE2M 4238/4885DCUN1D1 3589/4885CCR5 2/4885

“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.