SCHEMBL744382

SCHEMBL744382

OCc1ccccc1-c1cc[c]cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
DPP4 P27487 2/20 0.43
PDK2 Q15119 2/20 0.41
KMT2A Q03164 1/20 0.41
APOBEC3G Q9HC16 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.36
FOLH1 Q04609 1/20 0.36
BAZ2B Q9UIF8 2/20 0.36
BAZ2A Q9UIF9 2/20 0.36
BRD4 O60885 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
PDE10A Q9Y233 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
BCL2L1 Q07817 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADORA2A P29274 1/20 0.33
HTR2B P41595 1/20 0.33
GPR68 Q15743 1/20 0.33

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
SCHEMBL8146098 0.83 DPP4 (0.41) PDCD1CD274DPP4KMT2AFOLH1
SCHEMBL117091 0.81 PDCD1 (0.65) PDCD1CD274DPP4PDK2KMT2A
SCHEMBL30826353 0.81 PDCD1 (0.65) PDCD1CD274DPP4PDK2KMT2A
SCHEMBL533409 0.81 DPP4 (0.42) PDCD1CD274DPP4KMT2AFOLH1
SCHEMBL209278 0.81 DPP4 (0.69) PDCD1CD274DPP4KMT2AFOLH1
Hydrogen Sulfide SCHEMBL27879829 0.79 PDCD1 (0.63) PDCD1CD274DPP4PDK2KMT2A
Biphenyl SCHEMBL11301140 0.79 PDCD1 (0.63) PDCD1CD274DPP4PDK2KMT2A
SCHEMBL28797343 0.79 AKR1B1 (0.50) DPP4KMT2AFOLH1
SCHEMBL746055 0.79 PDCD1 (0.41) PDCD1CD274DPP4PDK2KMT2A
SCHEMBL1221964 0.78 PDCD1 (0.54) PDCD1CD274DPP4PDK2KMT2A

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 143 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA REATA PHARMACEUTICALS, INC. (US) 2021-09-23 US claimed
EP-3807265-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA Reata Pharmaceuticals, Inc. (US) 2021-04-21 EP claimed
US-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2013-05-09 US claimed
US-8362003-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-01-29 US claimed
EP-2431357-A2 3-Aminopyrrolidine Derivatives as Modulators of Chemokine Receptors Incyte Corporation (US) 2012-03-21 EP claimed
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION 2011-10-13 US claimed
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP claimed
US-7135487-B2 such as N-2-(4-Bromophenyl)propyl methanesulfonamide; sulfonamidation of the amine; glutamate receptor potentiators ELI LILLY AND COMPANY (US) 2006-11-14 US claimed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 US claimed
JP-2006516145-A 2006-06-22 JP claimed
JP-2001511781-A 2001-08-14 JP claimed
CN-1251523-A Sulfonamide derivatives LILLY CO ELI (US) 2000-04-26 CN claimed
EP-0980864-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 2000-02-23 EP claimed
WO-2000006539-A1 ALKENYL SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO claimed
WO-2000006157-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO claimed
CN-1241176-A Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER (US) 2000-01-12 CN claimed
EP-0946501-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1999-10-06 EP claimed
EP-0860428-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 1998-08-26 EP claimed
WO-1998033496-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-08-06 WO claimed
WO-1998028264-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1998-07-02 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 PDCD1 643/4885CD274 366/4885DPP4 2716/4885
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 PDCD1 648/4885CD274 362/4885DPP4 2633/4885
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA RORC, RORB, RORA PDCD1 591/4885CD274 640/4885DPP4 2143/4885
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 PDCD1 643/4885CD274 366/4885DPP4 2716/4885

“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.