SCHEMBL14129704

SCHEMBL14129704

CCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)COCC(=O)NCCOCCOCCN=[N+]=[N-])C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.48
▸ FOLH1 Q04609 3/20 0.41
▸ SIRT2 Q8IXJ6 9/20 0.39
▸ SIRT1 Q96EB6 7/20 0.39
▸ SIRT3 Q9NTG7 3/20 0.39
▸ CPA1 P15085 1/20 0.38
▸ CPA2 P48052 1/20 0.38
▸ CPA4 Q9UI42 1/20 0.38
▸ CCKAR P32238 3/20 0.37
▸ CCKBR P32239 3/20 0.37
▸ HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL26015578 0.87 SSTR3 (0.46) SSTR3FOLH1SIRT2SIRT1HDAC8
SCHEMBL14129702 0.85 CPA1 (0.42) SSTR3FOLH1SIRT2SIRT1SIRT3
SCHEMBL29649549 0.83 SSTR3 (0.42) SSTR3FOLH1SIRT2SIRT1HDAC8
SCHEMBL22691442 0.80 FURIN (0.39) SSTR3FOLH1
SCHEMBL19731615 0.80 FURIN (0.39) SSTR3FOLH1
SCHEMBL15702071 0.78 SSTR3 (0.45) SSTR3FOLH1SIRT2SIRT1HDAC8
SCHEMBL29649540 0.78 FOLH1 (0.45) SSTR3FOLH1
SCHEMBL16450919 0.78 SSTR3 (0.49) SSTR3SIRT2SIRT1HDAC8
SCHEMBL26015675 0.77 HTR2A (0.40) SSTR3FOLH1SIRT2SIRT1SIRT3
SCHEMBL29649584 0.76 FOLH1 (0.40) SSTR3FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067006-B2 Polymeric carriers of therapeutic agents and recognition moieties for antibody-based targeting of disease sites IMMUNOMEDICS, INC. (US) 2011-11-29 — — US disclosed
US-20100233779-A1 Polymeric Carriers of Therapeutic Agents and Recognition Moieties for Antibody-Based Targeting of Disease Sites IMMUNOMEDICS, INC. (US) 2010-09-16 — — US disclosed
US-20080171067-A1 Polymeric Carriers of Therapeutic Agents and Recognition Moieties for Antibody-Based Targeting of Disease Sites IMMUNOMEDICS, INC. (US) 2008-07-17 — — 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-20080171067-A1 Polymeric Carriers of Therapeutic Agents and Recognition Moieties for Antibody-Based Targeting of Disease Sites CD47, BSG, SELPLG SSTR3 1412/4885FOLH1 790/4885SIRT2 4668/4885
US-20100233779-A1 Polymeric Carriers of Therapeutic Agents and Recognition Moieties for Antibody-Based Targeting of Disease Sites CD47, BSG, SELPLG SSTR3 1412/4885FOLH1 790/4885SIRT2 4668/4885

“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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