SCHEMBL14769386

SCHEMBL14769386

C[N+](CCCN)(CCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)CS(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 1/20 0.47
▸ FTO Q9C0B1 9/20 0.45
▸ MMP14 P50281 1/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ KCNH2 Q12809 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ SMAD3 P84022 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PRMT1 Q99873 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41

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
SCHEMBL14769446 0.93 ALB (0.46) ALBFTOMMP14JAK2KCNH2
SCHEMBL14769388 0.83 ALB (0.47) ALBFTOMMP14JAK2KCNH2
SCHEMBL17787479 0.82 ALB (0.53) ALBFTOMMP14JAK2KCNH2
SCHEMBL16982918 0.82 FTO (0.60) ALBFTOMMP14JAK2KCNH2
SCHEMBL24943573 0.80 FTO (0.57) ALBFTOMMP14JAK2KCNH2
SCHEMBL18088313 0.80 ALB (0.49) ALBFTOMMP14JAK2KCNH2
SCHEMBL7877596 0.80 FTO (0.52) ALBFTOMMP14JAK2KCNH2
SCHEMBL3499473 0.80 ALB (0.56) ALBFTOMMP14JAK2KCNH2
SCHEMBL17956704 0.79 FTO (0.60) ALBFTOMMP14JAK2KCNH2
SCHEMBL14769917 0.79 ALB (0.57) ALBFTOMMP14JAK2KCNH2

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-9487480-B2 Zwitterionic reagents SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2016-11-08 — — US disclosed
US-20160274094-A1 ZWITTERIONIC REAGENTS SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2016-09-22 — — US disclosed
US-9353056-B2 — — 2016-05-31 — — US disclosed
US-20130065325-A1 ZWITTERIONIC REAGENTS SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2013-03-14 — — 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-20130065325-A1 ZWITTERIONIC REAGENTS BTD, HLCS, WIZ ALB 254/4885FTO 4277/4885MMP14 2016/4885
US-20160274094-A1 ZWITTERIONIC REAGENTS BTD, HLCS, WIZ ALB 254/4885FTO 4277/4885MMP14 2016/4885

“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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