Sugi Predict

Sugi Predict / Compounds / SCHEMBL19922892

SCHEMBL19922892

SCHEMBL19922892

CCCCCC(Br)c1ccc(C(=O)OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ZDHHC7 Q9NXF8 1/20 0.45
▸ TLR8 Q9NR97 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ CYP2C9 P11712 3/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ GRM2 Q14416 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL19922885 0.98 MGLL (0.50) MGLLNPC1CASP1RAB9AZDHHC7
SCHEMBL28261584 0.98 MGLL (0.50) MGLLNPC1CASP1RAB9AZDHHC7
SCHEMBL10610256 0.89 MGLL (0.49) MGLLNPC1CASP1RAB9ATLR8
SCHEMBL1867683 0.89 SLC6A2 (0.50) NPC1CASP1RAB9ASLC6A2SLC6A4
SCHEMBL1765677 0.84 MGLL (0.50) MGLLNPC1CASP1RAB9ASLC6A2
SCHEMBL28291146 0.84 MGLL (0.50) MGLLNPC1CASP1RAB9ASLC6A2
SCHEMBL1765727 0.83 MGLL (0.52) MGLLNPC1CASP1RAB9ASLC6A2
SCHEMBL1765738 0.83 MGLL (0.52) MGLLNPC1CASP1RAB9ASLC6A2
SCHEMBL14640215 0.83 MGLL (0.49) MGLLNPC1CASP1RAB9ASLC6A2
SCHEMBL8759187 0.82 MAPT (0.50) RAB9AMAPTCYP2C9CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3510022-B1 INDOLE DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2020-08-05 — — EP disclosed
CN-110072858-A Indole derivatives as glucagon receptor antagonist 詹森药业有限公司 2019-07-30 — — CN disclosed
EP-3510022-A1 INDOLE DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS Janssen Pharmaceutica NV (BE) 2019-07-17 — — EP disclosed
US-10251864-B2 Indole derivatives useful as glucagon receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-04-09 — — US disclosed
WO-2018048761-A1 INDOLE DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2018-03-15 — — WO disclosed
US-20180064686-A1 INDOLE DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2018-03-08 — — 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-10251864-B2 Indole derivatives useful as glucagon receptor antagonists GPR119, GIPR, GLP1R MGLL 216/4885NPC1 2212/4885CASP1 3570/4885
US-20180064686-A1 INDOLE DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS GPR119, GIPR, GLP1R MGLL 216/4885NPC1 2212/4885CASP1 3570/4885

“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.