Sugi Predict

Sugi Predict / Compounds / SCHEMBL9951722

SCHEMBL9951722

SCHEMBL9951722

C#Cc1nn(C2CCCCO2)c2ccc(C(=O)OC)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 1/20 0.40
▸ RAB9A P51151 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ NQO2 P16083 1/20 0.37
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ SCARB1 Q8WTV0 1/20 0.36
▸ ATR Q13535 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.35
▸ CNR1 P21554 1/20 0.35

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
SCHEMBL9951697 0.88 HCAR3 (0.41) DGAT2RAB9ARXRARXRBRXRG
SCHEMBL10324149 0.85 DGAT2 (0.40) DGAT2RAB9ANPC1NQO2MTNR1A
SCHEMBL30159592 0.85 DGAT2 (0.40) DGAT2RAB9ANPC1NQO2MTNR1A
SCHEMBL30159627 0.84 ALDH1A1 (0.41) DGAT2RAB9ANPC1NQO2MTNR1A
SCHEMBL18548025 0.84 DGAT2 (0.40) DGAT2RAB9ANPC1NQO2MTNR1A
SCHEMBL9904651 0.84 ALDH1A1 (0.41) DGAT2RAB9ANPC1NQO2MTNR1A
SCHEMBL30159688 0.83 DGAT2 (0.39) DGAT2RAB9ANPC1NQO2MTNR1A
SCHEMBL10324566 0.83 DGAT2 (0.39) DGAT2RAB9ANPC1NQO2MTNR1A
SCHEMBL22527761 0.80 SCARB1 (0.41) DGAT2RAB9ANPC1NQO2MTNR1A
SCHEMBL22527765 0.80 ALDH1A1 (0.42) DGAT2RAB9ANPC1NQO2MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 — — EP disclosed
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 — — EP disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
EP-2655357-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS Merck Serono S.A. (CH) 2013-10-30 — — EP disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — US disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 — — 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-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 DGAT2 1024/4885RAB9A 2407/4885NPC1 826/4885

“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.