SCHEMBL2685594

SCHEMBL2685594

Cc1cc(-c2cc(NC(=O)[C@@H](N)Cc3ccc(Cl)cc3Cl)cc(C(=O)O)c2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 12/20 0.45
▸ PTGER1 P34995 1/20 0.42
▸ RORA P35398 1/20 0.41
▸ NR2E1 Q9Y466 1/20 0.41
▸ GPR142 Q7Z601 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ HDAC1 Q13547 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ FTO Q9C0B1 1/20 0.39

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
SCHEMBL2685599 1.00 HDAC8 (0.45) HDAC8PTGER1RORANR2E1GPR142
SCHEMBL2686183 0.84 PTGER1 (0.40) PTGER1RORANR2E1GPR142MAPK1
SCHEMBL2686188 0.84 PTGER1 (0.40) PTGER1RORANR2E1GPR142MAPK1
SCHEMBL13258419 0.83 AAK1 (0.41) HDAC8PTGER1RORANR2E1GPR142
SCHEMBL2683765 0.77 RORA (0.40) PTGER1RORANR2E1GPR142MAPK1
SCHEMBL2683768 0.77 RORA (0.40) PTGER1RORANR2E1GPR142MAPK1
SCHEMBL2685002 0.77 GPR142 (0.51) RORANR2E1GPR142PSEN1PSEN2
SCHEMBL13258426 0.76 AAK1 (0.41) HDAC8RORANR2E1GPR142MAPK1
SCHEMBL7032205 0.70 HDAC8 (0.63) HDAC8HDAC1
SCHEMBL7032203 0.70 HDAC8 (0.63) HDAC8HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 — — US claimed
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 — — US disclosed
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 — — US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 — — US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 — — US disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 — — WO disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 — — 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 (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-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A HDAC8 2147/4885PTGER1 1207/4885RORA 3188/4885

“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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