SCHEMBL8246646

SCHEMBL8246646

N[C@H](CO)Cc1ccsc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.45
▸ SLC1A3 P43003 2/20 0.42
▸ SLC1A2 P43004 2/20 0.42
▸ SLC1A1 P43005 2/20 0.42
▸ MME P08473 3/20 0.42
▸ EPHX1 P07099 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ PCNA P12004 1/20 0.36
▸ LIG1 P18858 1/20 0.36
▸ ANPEP P15144 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ OPRM1 P35372 4/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ OPRD1 P41143 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
SCHEMBL6192820 1.00 DPP4 (0.48) DPP4TAAR1SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL6747617 0.98 DPP4 (0.47) DPP4TAAR1SLC1A3SLC1A2SLC1A1
SCHEMBL4668650 0.85 DPP4 (0.46) DPP4TAAR1SLC1A3SLC1A2SLC1A1
SCHEMBL6194940 0.81 TAAR1 (0.52) DPP4TAAR1SLC1A3SLC1A2SLC1A1
SCHEMBL4202520 0.80 SLC6A4 (0.47) DPP4TAAR1SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL6195390 0.79 TAAR1 (0.50) DPP4TAAR1SLC1A3SLC1A2SLC1A1
SCHEMBL2032547 0.78 DPP4 (0.57) DPP4TAAR1SLC1A3SLC1A2SLC1A1
SCHEMBL2029984 0.78 DPP4 (0.57) DPP4TAAR1SLC1A3SLC1A2SLC1A1
SCHEMBL2029981 0.78 DPP4 (0.57) DPP4TAAR1SLC1A3SLC1A2SLC1A1
SCHEMBL5516728 0.78 MME (0.43) DPP4TAAR1SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895571-B2 Isoindolinone and pyrrolopyridinone derivatives as Akt inhibitors INCYTE CORPORATION (US) 2014-11-25 — — US disclosed
US-8895571-B2 Isoindolinone and pyrrolopyridinone derivatives as Akt inhibitors INCYTE CORPORATION (US) 2014-11-25 — — US disclosed
US-8895571-B2 Isoindolinone and pyrrolopyridinone derivatives as Akt inhibitors INCYTE CORPORATION (US) 2014-11-25 — — US disclosed
WO-2013056015-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 — — WO disclosed
US-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 — — US disclosed
US-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 — — US disclosed
US-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 — — US disclosed
US-20100168070-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HEINE NIKLAS 2010-07-01 — — US disclosed
US-20100168070-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HEINE NIKLAS 2010-07-01 — — US disclosed
US-20100144681-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATION GMNB (DE) 2010-06-10 — — US disclosed
US-20100144681-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATION GMNB (DE) 2010-06-10 — — US disclosed
WO-2007017510-A2 ISOPHTHALIC ACID DIAMIDES FOR TREATING ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 — — 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 (3 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-20100168070-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE PSEN1, PSEN2, ADORA3 DPP4 3357/4885TAAR1 134/4885SLC1A3 64/4885
US-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS MTOR, PDPK1, PIK3CA DPP4 2388/4885TAAR1 4634/4885SLC1A3 3254/4885
US-20100144681-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE PSEN1, PSEN2, ADORA3 DPP4 3281/4885TAAR1 136/4885SLC1A3 60/4885

“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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